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

Systemtic Name: (2S)-2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)propanamide Openeye Name: (2S)-2-(4-chloro-N-methylsulfonyl-anilino)-N-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)propanamide CAS Name: (2S)-2-(4-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)propanamide IUPAC Name: (2S)-2-(4-chloro-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide Traditional Name: (2S)-2-(4-chloro-N-mesyl-anilino)-N-(2-keto-1,3-dimethyl-benzimidazol-5-yl)propionamide Formula: C19H21ClN4O4S MolecularWeight: 436.91244

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

C[C@@H](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/C19H21ClN4O4S/c1-12(24(29(4,27)28)15-8-5-13(20)6-9-15)18(25)21-14-7-10-16-17(11-14)23(3)19(26)22(16)2/h5-12H,1-4H3,(H,21,25)/t12-/m0/s1