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

Systemtic Name: methyl 4-[2-[(4-bromophenyl)sulfonyl-(phenylmethyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[benzyl-(4-bromophenyl)sulfonyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-bromophenyl)sulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[benzyl-(4-bromophenyl)sulfonylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[benzyl(brosyl)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=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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