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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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