[5-[[4-[[4-(4-ethyl-4-methyl-piperidin-1-yl)phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-6-phenylsulfanyl-hexyl]carbamic acid

Systemtic Name: [5-[[4-[[4-(4-ethyl-4-methyl-piperidin-1-yl)phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-6-phenylsulfanyl-hexyl]carbamic acid Openeye Name: [5-[4-[[4-(4-ethyl-4-methyl-1-piperidyl)benzoyl]sulfamoyl]-2-nitro-anilino]-6-phenylsulfanyl-hexyl]carbamic acid CAS Name: [5-[4-[[[4-(4-ethyl-4-methyl-1-piperidinyl)phenyl]-oxomethyl]sulfamoyl]-2-nitroanilino]-6-(phenylthio)hexyl]carbamic acid IUPAC Name: [5-[4-[[4-(4-ethyl-4-methylpiperidin-1-yl)benzoyl]sulfamoyl]-2-nitroanilino]-6-phenylsulfanylhexyl]carbamic acid Traditional Name: [5-[4-[[4-(4-ethyl-4-methyl-piperidino)benzoyl]sulfamoyl]-2-nitro-anilino]-6-(phenylthio)hexyl]carbamic acid Formula: C34H43N5O7S2 MolecularWeight: 697.86452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCCCNC(=O)O)CSC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCC1(CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCCCNC(=O)O)CSC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C34H43N5O7S2/c1-3-34(2)18-21-38(22-19-34)27-14-12-25(13-15-27)32(40)37-48(45,46)29-16-17-30(31(23-29)39(43)44)36-26(9-7-8-20-35-33(41)42)24-47-28-10-5-4-6-11-28/h4-6,10-17,23,26,35-36H,3,7-9,18-22,24H2,1-2H3,(H,37,40)(H,41,42)