N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(3-cyano-4,5-dimethyl-2-thienyl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(3-cyano-4,5-dimethyl-2-thienyl)nipecotamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H21N3O3S2/c1-13-14(2)26-19(17(13)11-20)21-18(23)15-7-6-10-22(12-15)27(24,25)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10,12H2,1-2H3,(H,21,23)