2-[(2,3-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2,3-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[2,3-dimethyl-N-(p-tolylsulfonyl)anilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide CAS Name: 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(1-imidazolyl)phenyl]methyl]acetamide IUPAC Name: 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide Traditional Name: 2-(2,3-dimethyl-N-tosyl-anilino)-N-(4-imidazol-1-ylbenzyl)acetamide Formula: C27H28N4O3S MolecularWeight: 488.60122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3C=CN=C3)C4=CC=CC(=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3C=CN=C3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C27H28N4O3S/c1-20-7-13-25(14-8-20)35(33,34)31(26-6-4-5-21(2)22(26)3)18-27(32)29-17-23-9-11-24(12-10-23)30-16-15-28-19-30/h4-16,19H,17-18H2,1-3H3,(H,29,32)