N-(3-chloranyl-2-methyl-phenyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]acetamide Formula: C18H20ClN3O4S2 MolecularWeight: 441.9521

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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)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H20ClN3O4S2/c1-13-15(19)3-2-4-16(13)21-17(23)12-27-18-6-5-14(11-20-18)28(24,25)22-7-9-26-10-8-22/h2-6,11H,7-10,12H2,1H3,(H,21,23)