4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)butanamide

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-(2-keto-1,3-dimethyl-benzimidazol-5-yl)butyramide Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN4O4S/c1-14-7-8-15(22)12-18(14)26(31(4,29)30)11-5-6-20(27)23-16-9-10-17-19(13-16)25(3)21(28)24(17)2/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,27)