2-Nitro-N-[(trans-4-{[(1,2,3,4-Tetrahydro-2-Naphthalenylmethyl)Amino]Methyl}Cyclohexyl)Methyl]Benzenesulfonamide Hydrochloride (1:1)
[CAS# 486453-65-0]

Identification

• Name: 2-Nitro-N-[(trans-4-{[(1,2,3,4-Tetrahydro-2-Naphthalenylmethyl)Amino]Methyl}Cyclohexyl)Methyl]Benzenesulfonamide Hydrochloride (1:1)
• Synonyms: 2-Nitro-N-[[trans-4-[[[(1,2,3,4-tetrahydro-2-naphthalenyl)methyl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide hydrochloride; NTNCB hydrochloride
• Molecular Formula: C₂₅H₃₄ClN₃O₄S
• Molecular Weight: 508.07
• CAS Registry Number: 486453-65-0
• SMILES: C1[C@@H](CC[C@H](C1)CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CNCC3CC4=CC=CC=C4CC3.Cl
• InChI: 1S/C25H33N3O4S.ClH/c29-28(30)24-7-3-4-8-25(24)33(31,32)27-18-20-11-9-19(10-12-20)16-26-17-21-13-14-22-5-1-2-6-23(22)15-21;/h1-8,19-21,26-27H,9-18H2;1H/t19-,20-,21?
• InChIKey: BKCQHNDMUNWNQC-GEIALWGYSA-N

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 100 mM in DMSO