2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide CAS Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[[4-(1-imidazolyl)phenyl]methyl]acetamide IUPAC Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide Traditional Name: N-(4-imidazol-1-ylbenzyl)-2-(N-mesyl-2,5-dimethyl-anilino)acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-16-4-5-17(2)20(12-16)25(29(3,27)28)14-21(26)23-13-18-6-8-19(9-7-18)24-11-10-22-15-24/h4-12,15H,13-14H2,1-3H3,(H,23,26)