N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[4-(4-chlorophenyl)piperazino]sulfonylethyl]-3,4-dimethoxy-benzamide Formula: C21H26ClN3O5S MolecularWeight: 467.96624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H26ClN3O5S/c1-29-19-8-3-16(15-20(19)30-2)21(26)23-9-14-31(27,28)25-12-10-24(11-13-25)18-6-4-17(22)5-7-18/h3-8,15H,9-14H2,1-2H3,(H,23,26)