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

Systemtic Name: N-[3-(3-methylphenyl)propyl]-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[3-(m-tolyl)propyl]benzamide CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[3-(3-methylphenyl)propyl]benzamide IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[3-(3-methylphenyl)propyl]benzamide Traditional Name: 4-[(4-besylpiperazino)methyl]-N-[3-(m-tolyl)propyl]benzamide Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCCNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CCCNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3S/c1-23-7-5-8-24(21-23)9-6-16-29-28(32)26-14-12-25(13-15-26)22-30-17-19-31(20-18-30)35(33,34)27-10-3-2-4-11-27/h2-5,7-8,10-15,21H,6,9,16-20,22H2,1H3,(H,29,32)