4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide

Systemtic Name: 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide Openeye Name: 4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide CAS Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[[2-(1-imidazolyl)phenyl]methyl]benzamide IUPAC Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide Traditional Name: N-(2-imidazol-1-ylbenzyl)-4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3N4C=CN=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3N4C=CN=C4)S(=O)(=O)C)C

InChI

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