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

Systemtic Name: [5-[[4-[[4-(6-azaspiro[2.5]octan-6-yl)phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-6-phenylsulfanyl-hexyl]-tert-butyl-carbamic acid Openeye Name: [5-[4-[[4-(6-azaspiro[2.5]octan-6-yl)benzoyl]sulfamoyl]-2-nitro-anilino]-6-phenylsulfanyl-hexyl]-tert-butyl-carbamic acid CAS Name: [5-[4-[[[4-(6-azaspiro[2.5]octan-6-yl)phenyl]-oxomethyl]sulfamoyl]-2-nitroanilino]-6-(phenylthio)hexyl]-tert-butylcarbamic acid IUPAC Name: [5-[4-[[4-(6-azaspiro[2.5]octan-6-yl)benzoyl]sulfamoyl]-2-nitroanilino]-6-phenylsulfanylhexyl]-tert-butylcarbamic acid Traditional Name: [5-[4-[[4-(6-azaspiro[2.5]octan-6-yl)benzoyl]sulfamoyl]-2-nitro-anilino]-6-(phenylthio)hexyl]-tert-butyl-carbamic acid Formula: C37H47N5O7S2 MolecularWeight: 737.92838

Click to see the large picture

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)