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

Systemtic Name: 2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[3-bromo-N-(p-tolylsulfonyl)anilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide CAS Name: 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(1-imidazolyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide Traditional Name: 2-(3-bromo-N-tosyl-anilino)-N-(4-imidazol-1-ylbenzyl)acetamide Formula: C25H23BrN4O3S MolecularWeight: 539.44412

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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=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN4O3S/c1-19-5-11-24(12-6-19)34(32,33)30(23-4-2-3-21(26)15-23)17-25(31)28-16-20-7-9-22(10-8-20)29-14-13-27-18-29/h2-15,18H,16-17H2,1H3,(H,28,31)