3-cyano-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]benzamide

Systemtic Name: 3-cyano-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]benzamide Openeye Name: 3-cyano-N-[2-[4-(m-tolyl)piperazin-1-yl]sulfonylethyl]benzamide CAS Name: 3-cyano-N-[2-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 3-cyano-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]benzamide Traditional Name: 3-cyano-N-[2-[4-(m-tolyl)piperazino]sulfonylethyl]benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H24N4O3S/c1-17-4-2-7-20(14-17)24-9-11-25(12-10-24)29(27,28)13-8-23-21(26)19-6-3-5-18(15-19)16-22/h2-7,14-15H,8-13H2,1H3,(H,23,26)