N-(4-cyanophenyl)-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-cyanophenyl)-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-cyanophenyl)-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-cyanophenyl)-1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-cyanophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-cyanophenyl)-1-(2,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-15-3-8-20(16(2)13-15)28(26,27)24-11-9-18(10-12-24)21(25)23-19-6-4-17(14-22)5-7-19/h3-8,13,18H,9-12H2,1-2H3,(H,23,25)