N-(3-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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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=CC(=C3)C#N)C

Isomeric SMILES

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

InChI

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