N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(2-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(2-methylphenyl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(o-tolylsulfanyl)acetamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-2-(o-tolylthio)acetamide Formula: C19H21ClN2O3S2 MolecularWeight: 424.96464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H21ClN2O3S2/c1-14-6-2-3-7-17(14)26-13-19(23)21-15-8-9-16(20)18(12-15)27(24,25)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,21,23)