N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C19H22ClN3O4S2 MolecularWeight: 455.97868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H22ClN3O4S2/c1-13-9-16(17(27-2)10-15(13)20)22-18(24)12-28-19-6-5-14(11-21-19)29(25,26)23-7-3-4-8-23/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,22,24)