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

Systemtic Name: methyl 4-[2-[(4-bromophenyl)methyl-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]acetyl]amino]benzoate CAS Name: 4-[[2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[besyl-(4-bromobenzyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C23H21BrN2O5S MolecularWeight: 517.39224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21BrN2O5S/c1-31-23(28)18-9-13-20(14-10-18)25-22(27)16-26(15-17-7-11-19(24)12-8-17)32(29,30)21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,25,27)