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

Systemtic Name: N-(4-butylphenyl)-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(4-butylphenyl)benzamide CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-(4-butylphenyl)benzamide IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(4-butylphenyl)benzamide Traditional Name: 4-[(4-besylpiperazino)methyl]-N-(4-butylphenyl)benzamide Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3S/c1-2-3-7-23-12-16-26(17-13-23)29-28(32)25-14-10-24(11-15-25)22-30-18-20-31(21-19-30)35(33,34)27-8-5-4-6-9-27/h4-6,8-17H,2-3,7,18-22H2,1H3,(H,29,32)