N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-methylthiazol-2-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[(4-methyl-2-thiazolyl)thio]acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-[(4-methylthiazol-2-yl)thio]acetamide Formula: C16H18ClN3O3S3 MolecularWeight: 431.98042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC1=CSC(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C16H18ClN3O3S3/c1-11-9-24-16(18-11)25-10-15(21)19-14-8-12(4-5-13(14)17)26(22,23)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,19,21)