N-(3-chloranyl-2-methyl-phenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C18H20ClN3O3S2 MolecularWeight: 425.9527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3S2/c1-13-15(19)5-4-6-16(13)21-17(23)12-26-18-8-7-14(11-20-18)27(24,25)22-9-2-3-10-22/h4-8,11H,2-3,9-10,12H2,1H3,(H,21,23)