N-(3-chloranyl-4-methyl-phenyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C19H21ClN2O3S2/c1-14-4-5-15(12-18(14)20)21-19(23)13-26-16-6-8-17(9-7-16)27(24,25)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,23)