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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

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