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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)butanamide Openeye Name: 4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)butanamide CAS Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)butanamide IUPAC Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-(2-keto-1,3-dimethyl-benzimidazol-5-yl)butyramide Formula: C21H25ClN4O5S MolecularWeight: 480.965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O5S/c1-24-17-9-7-14(12-18(17)25(2)21(24)28)23-20(27)6-5-11-26(32(4,29)30)15-8-10-19(31-3)16(22)13-15/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,27)