N-[5-[[4-[[4-(6-azaspiro[2.5]octan-6-yl)phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-6-phenylsulfanyl-hexyl]-N-tert-butyl-carbamate

Systemtic Name: N-[5-[[4-[[4-(6-azaspiro[2.5]octan-6-yl)phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-6-phenylsulfanyl-hexyl]-N-tert-butyl-carbamate Openeye Name: N-[5-[4-[[4-(6-azaspiro[2.5]octan-6-yl)benzoyl]sulfamoyl]-2-nitro-anilino]-6-phenylsulfanyl-hexyl]-N-tert-butyl-carbamate CAS Name: N-[5-[4-[[[4-(6-azaspiro[2.5]octan-6-yl)phenyl]-oxomethyl]sulfamoyl]-2-nitroanilino]-6-(phenylthio)hexyl]-N-tert-butylcarbamate IUPAC Name: N-[5-[4-[[4-(6-azaspiro[2.5]octan-6-yl)benzoyl]sulfamoyl]-2-nitroanilino]-6-phenylsulfanylhexyl]-N-tert-butylcarbamate Traditional Name: N-[5-[4-[[4-(6-azaspiro[2.5]octan-6-yl)benzoyl]sulfamoyl]-2-nitro-anilino]-6-(phenylthio)hexyl]-N-tert-butyl-carbamate Formula: C37H46N5O7S2- MolecularWeight: 736.92044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CCCCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC5(CC5)CC4)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)N(CCCCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC5(CC5)CC4)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C37H47N5O7S2/c1-36(2,3)41(35(44)45)22-8-7-9-28(26-50-30-10-5-4-6-11-30)38-32-17-16-31(25-33(32)42(46)47)51(48,49)39-34(43)27-12-14-29(15-13-27)40-23-20-37(18-19-37)21-24-40/h4-6,10-17,25,28,38H,7-9,18-24,26H2,1-3H3,(H,39,43)(H,44,45)/p-1