N-[3-(2-ethoxyphenyl)propyl]-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-[3-(2-ethoxyphenyl)propyl]-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[3-(2-ethoxyphenyl)propyl]benzamide CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[3-(2-ethoxyphenyl)propyl]benzamide IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[3-(2-ethoxyphenyl)propyl]benzamide Traditional Name: 4-[(4-besylpiperazino)methyl]-N-(3-o-phenetylpropyl)benzamide Formula: C29H35N3O4S MolecularWeight: 521.6709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCCNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1CCCNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

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