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

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

CCC(C(=O)NC1=CC2=C(C=C1)N(C(=O)N2C)C)N(C3=CC=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)N(C(=O)N2C)C)N(C3=CC=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN4O4S/c1-5-16(25(30(4,28)29)15-9-6-13(21)7-10-15)19(26)22-14-8-11-17-18(12-14)24(3)20(27)23(17)2/h6-12,16H,5H2,1-4H3,(H,22,26)