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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[4-(cyanomethyl)phenyl]benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[4-(cyanomethyl)phenyl]benzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[4-(cyanomethyl)phenyl]benzamide Traditional Name: 3-[(4-besylpiperazino)methyl]-N-[4-(cyanomethyl)phenyl]benzamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)CC#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)CC#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O3S/c27-14-13-21-9-11-24(12-10-21)28-26(31)23-6-4-5-22(19-23)20-29-15-17-30(18-16-29)34(32,33)25-7-2-1-3-8-25/h1-12,19H,13,15-18,20H2,(H,28,31)