N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-methylsulfonyl-benzamide Openeye Name: 4-methylsulfonyl-N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]benzamide CAS Name: N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]-4-methylsulfonylbenzamide IUPAC Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[3-[4-(m-tolyl)piperazino]propyl]benzamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

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