N-[2-(4-methoxyphenyl)ethyl]-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide Traditional Name: 3-[(4-besylpiperazino)methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-34-25-12-10-22(11-13-25)14-15-28-27(31)24-7-5-6-23(20-24)21-29-16-18-30(19-17-29)35(32,33)26-8-3-2-4-9-26/h2-13,20H,14-19,21H2,1H3,(H,28,31)