N-[4-(cyanomethyl)phenyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-16-3-8-21(15-17(16)2)29(27,28)25-13-10-19(11-14-25)22(26)24-20-6-4-18(5-7-20)9-12-23/h3-8,15,19H,9-11,13-14H2,1-2H3,(H,24,26)