N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-3-piperidinosulfonyl-benzamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C19H21N3O3S2/c1-13-14(2)26-19(17(13)12-20)21-18(23)15-7-6-8-16(11-15)27(24,25)22-9-4-3-5-10-22/h6-8,11H,3-5,9-10H2,1-2H3,(H,21,23)