N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(methylsulfonylmethyl)benzamide

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(methylsulfonylmethyl)benzamide Openeye Name: 4-(methylsulfonylmethyl)-N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]benzamide CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-4-(methylsulfonylmethyl)benzamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(methylsulfonylmethyl)benzamide Traditional Name: 4-(mesylmethyl)-N-[2-[4-(m-tolyl)piperazino]ethyl]benzamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

InChI

InChI=1S/C22H29N3O3S/c1-18-4-3-5-21(16-18)25-14-12-24(13-15-25)11-10-23-22(26)20-8-6-19(7-9-20)17-29(2,27)28/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)