N-[4-(cyanomethyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C22H25N3O3S/c1-17-3-2-4-19(15-17)16-29(27,28)25-13-10-20(11-14-25)22(26)24-21-7-5-18(6-8-21)9-12-23/h2-8,15,20H,9-11,13-14,16H2,1H3,(H,24,26)