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

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide Openeye Name: N-[3-(2-propoxyphenyl)propyl]-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide IUPAC Name: 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide Traditional Name: N-[3-(2-propoxyphenyl)propyl]-4-[(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=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

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