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

Systemtic Name: 4-chloranyl-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(3-cyano-4,5-dimethyl-2-thienyl)-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-chloro-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-(3-cyano-4,5-dimethyl-2-thienyl)-3-piperidinosulfonyl-benzamide Formula: C19H20ClN3O3S2 MolecularWeight: 437.9634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3S2/c1-12-13(2)27-19(15(12)11-21)22-18(24)14-6-7-16(20)17(10-14)28(25,26)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9H2,1-2H3,(H,22,24)