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

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(2-pyridylmethyl)butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-(2-pyridylmethyl)butyramide Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NCC2=CC=CC=N2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NCC2=CC=CC=N2)S(=O)(=O)C

InChI

InChI=1S/C18H22ClN3O3S/c1-14-8-9-15(19)12-17(14)22(26(2,24)25)11-5-7-18(23)21-13-16-6-3-4-10-20-16/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3,(H,21,23)