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

Systemtic Name: (2S)-N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: (2S)-2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)propanamide CAS Name: (2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)propanamide IUPAC Name: (2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide Traditional Name: (2S)-N-(2-keto-1,3-dimethyl-benzimidazol-5-yl)-2-(N-mesyl-3,4-dimethyl-anilino)propionamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)N([C@@H](C)C(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C)S(=O)(=O)C)C

InChI

InChI=1S/C21H26N4O4S/c1-13-7-9-17(11-14(13)2)25(30(6,28)29)15(3)20(26)22-16-8-10-18-19(12-16)24(5)21(27)23(18)4/h7-12,15H,1-6H3,(H,22,26)/t15-/m0/s1