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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-3-[(4-mesylpiperazino)methyl]benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H24N4O3S/c1-29(27,28)25-13-11-24(12-14-25)16-18-3-2-4-19(15-18)21(26)23-20-7-5-17(6-8-20)9-10-22/h2-8,15H,9,11-14,16H2,1H3,(H,23,26)