N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carboxamide Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C22H27N5O5S/c1-31-19-8-7-16(15-20(19)32-2)33(29,30)27-13-11-26(12-14-27)22(28)23-10-9-21-24-17-5-3-4-6-18(17)25-21/h3-8,15H,9-14H2,1-2H3,(H,23,28)(H,24,25)