N-[4-(cyanomethyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(2-methylbenzyl)sulfonyl-isonipecotamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

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