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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[4-(cyanomethyl)phenyl]benzamide CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[4-(cyanomethyl)phenyl]benzamide IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[4-(cyanomethyl)phenyl]benzamide Traditional Name: 4-[(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=C(C=C2)C(=O)NC3=CC=C(C=C3)CC#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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