N-(3-cyanophenyl)-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-cyanophenyl)-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-(3-cyanophenyl)piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-(3-cyanophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-(3-cyanophenyl)piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-(3-cyanophenyl)isonipecotamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-15(25)18-5-3-7-20(13-18)29(27,28)24-10-8-17(9-11-24)21(26)23-19-6-2-4-16(12-19)14-22/h2-7,12-13,17H,8-11H2,1H3,(H,23,26)