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

Systemtic Name: 4-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)butanamide Openeye Name: 4-(3-chloro-N-methylsulfonyl-anilino)-N-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)butanamide CAS Name: 4-(3-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)butanamide IUPAC Name: 4-(3-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide Traditional Name: 4-(3-chloro-N-mesyl-anilino)-N-(2-keto-1,3-dimethyl-benzimidazol-5-yl)butyramide Formula: C20H23ClN4O4S MolecularWeight: 450.93902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)CCCN(C3=CC(=CC=C3)Cl)S(=O)(=O)C)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)CCCN(C3=CC(=CC=C3)Cl)S(=O)(=O)C)N(C1=O)C

InChI

InChI=1S/C20H23ClN4O4S/c1-23-17-10-9-15(13-18(17)24(2)20(23)27)22-19(26)8-5-11-25(30(3,28)29)16-7-4-6-14(21)12-16/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,22,26)