3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide Openeye Name: N-[3-(2-propoxyphenyl)propyl]-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide Traditional Name: N-[3-(2-propoxyphenyl)propyl]-3-[(4-tosylpiperazino)methyl]benzamide Formula: C31H39N3O4S MolecularWeight: 549.72406

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1CCCNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCOC1=CC=CC=C1CCCNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C31H39N3O4S/c1-3-22-38-30-12-5-4-9-27(30)11-7-17-32-31(35)28-10-6-8-26(23-28)24-33-18-20-34(21-19-33)39(36,37)29-15-13-25(2)14-16-29/h4-6,8-10,12-16,23H,3,7,11,17-22,24H2,1-2H3,(H,32,35)