4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-pyridin-3-yl-butanamide

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-pyridin-3-yl-butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(3-pyridyl)butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-pyridinyl)butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-(3-pyridyl)butyramide Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CN=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CN=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C17H20ClN3O3S/c1-13-7-8-14(18)11-16(13)21(25(2,23)24)10-4-6-17(22)20-15-5-3-9-19-12-15/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,20,22)