ethyl 4-[2-[(3-bromophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(3-bromophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[N-(benzenesulfonyl)-3-bromo-anilino]acetyl]amino]benzoate CAS Name: 4-[[2-[N-(benzenesulfonyl)-3-bromoanilino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]amino]benzoate Traditional Name: 4-[[2-(N-besyl-3-bromo-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C23H21BrN2O5S MolecularWeight: 517.39224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O5S/c1-2-31-23(28)17-11-13-19(14-12-17)25-22(27)16-26(20-8-6-7-18(24)15-20)32(29,30)21-9-4-3-5-10-21/h3-15H,2,16H2,1H3,(H,25,27)