N-[4-(cyanomethyl)phenyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-3-[(4-tosylpiperazino)methyl]benzamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C27H28N4O3S/c1-21-5-11-26(12-6-21)35(33,34)31-17-15-30(16-18-31)20-23-3-2-4-24(19-23)27(32)29-25-9-7-22(8-10-25)13-14-28/h2-12,19H,13,15-18,20H2,1H3,(H,29,32)