2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[[2-(2-methyl-1-imidazolyl)phenyl]methyl]propanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-[2-(2-methylimidazol-1-yl)benzyl]propionamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C(C)C(=O)NCC2=CC=CC=C2N3C=CN=C3C)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C(C)C(=O)NCC2=CC=CC=C2N3C=CN=C3C)S(=O)(=O)C)C

InChI

InChI=1S/C23H28N4O3S/c1-16-10-11-21(14-17(16)2)27(31(5,29)30)18(3)23(28)25-15-20-8-6-7-9-22(20)26-13-12-24-19(26)4/h6-14,18H,15H2,1-5H3,(H,25,28)