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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-2-34-25-8-6-7-23(19-25)20-28-27(31)24-13-11-22(12-14-24)21-29-15-17-30(18-16-29)35(32,33)26-9-4-3-5-10-26/h3-14,19H,2,15-18,20-21H2,1H3,(H,28,31)