methyl 2-[2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(4-bromophenyl)sulfonyl-(p-tolylmethyl)amino]acetyl]amino]benzoate CAS Name: 2-[[2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[brosyl-(4-methylbenzyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C24H23BrN2O5S MolecularWeight: 531.41882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC(=O)NC2=CC=CC=C2C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H23BrN2O5S/c1-17-7-9-18(10-8-17)15-27(33(30,31)20-13-11-19(25)12-14-20)16-23(28)26-22-6-4-3-5-21(22)24(29)32-2/h3-14H,15-16H2,1-2H3,(H,26,28)