3-[1-[[4-[7-(4-aminophenyl)sulfonyl-3-phenyl-quinoxalin-2-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[[4-[7-(4-aminophenyl)sulfonyl-3-phenyl-quinoxalin-2-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[[4-[7-(4-aminophenyl)sulfonyl-3-phenyl-quinoxalin-2-yl]phenyl]methyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[[4-[7-(4-aminophenyl)sulfonyl-3-phenyl-2-quinoxalinyl]phenyl]methyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[[4-[7-(4-aminophenyl)sulfonyl-3-phenylquinoxalin-2-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[4-(3-phenyl-7-sulfanilyl-quinoxalin-2-yl)benzyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C39H34N6O3S MolecularWeight: 666.79066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=NC6=C(C=CC(=C6)S(=O)(=O)C7=CC=C(C=C7)N)N=C5C8=CC=CC=C8

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=NC6=C(C=CC(=C6)S(=O)(=O)C7=CC=C(C=C7)N)N=C5C8=CC=CC=C8

InChI

InChI=1S/C39H34N6O3S/c40-29-14-16-31(17-15-29)49(47,48)32-18-19-33-35(24-32)42-38(37(41-33)27-6-2-1-3-7-27)28-12-10-26(11-13-28)25-44-22-20-30(21-23-44)45-36-9-5-4-8-34(36)43-39(45)46/h1-19,24,30H,20-23,25,40H2,(H,43,46)