2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonyl-amino]-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonyl-amino]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[(4-bromophenyl)methyl-(p-tolylsulfonyl)amino]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(4-bromobenzyl)-tosyl-amino]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C23H22BrN3O5S MolecularWeight: 532.40688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)CC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)CC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H22BrN3O5S/c1-16-6-12-20(13-7-16)33(31,32)26(14-18-8-10-19(24)11-9-18)15-23(28)25-21-4-3-5-22(17(21)2)27(29)30/h3-13H,14-15H2,1-2H3,(H,25,28)