3,4-dimethoxy-N-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]benzamide Openeye Name: N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-3,4-dimethoxy-benzamide CAS Name: 3,4-dimethoxy-N-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]benzamide IUPAC Name: N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-3,4-dimethoxy-benzamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H27N3O6S/c1-30-19-9-8-18(14-20(19)31-2)22(27)23-15-21(26)24-10-12-25(13-11-24)32(28,29)16-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)