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

Systemtic Name: N-[3-(4-ethoxyphenyl)propyl]-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[3-(4-ethoxyphenyl)propyl]benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[3-(4-ethoxyphenyl)propyl]benzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[3-(4-ethoxyphenyl)propyl]benzamide Traditional Name: 3-[(4-besylpiperazino)methyl]-N-(3-p-phenetylpropyl)benzamide Formula: C29H35N3O4S MolecularWeight: 521.6709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCCNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CCCNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H35N3O4S/c1-2-36-27-15-13-24(14-16-27)9-7-17-30-29(33)26-10-6-8-25(22-26)23-31-18-20-32(21-19-31)37(34,35)28-11-4-3-5-12-28/h3-6,8,10-16,22H,2,7,9,17-21,23H2,1H3,(H,30,33)