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

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-4-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=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

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

InChI

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