[2-bromanyl-4-[(4-methylphenyl)sulfonyl-(phenylcarbonyl)amino]phenyl] benzoate

Systemtic Name: [2-bromanyl-4-[(4-methylphenyl)sulfonyl-(phenylcarbonyl)amino]phenyl] benzoate Openeye Name: [4-[benzoyl(p-tolylsulfonyl)amino]-2-bromo-phenyl] benzoate CAS Name: benzoic acid [4-[benzoyl-(4-methylphenyl)sulfonylamino]-2-bromophenyl] ester IUPAC Name: [4-[benzoyl-(4-methylphenyl)sulfonylamino]-2-bromophenyl] benzoate Traditional Name: benzoic acid [4-[benzoyl(tosyl)amino]-2-bromo-phenyl] ester Formula: C27H20BrNO5S MolecularWeight: 550.4204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)Br)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)Br)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H20BrNO5S/c1-19-12-15-23(16-13-19)35(32,33)29(26(30)20-8-4-2-5-9-20)22-14-17-25(24(28)18-22)34-27(31)21-10-6-3-7-11-21/h2-18H,1H3