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

Systemtic Name: ethyl 4-[2-[(3-bromophenyl)-(phenylsulfonyl)amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-[N-(benzenesulfonyl)-3-bromo-anilino]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[N-(benzenesulfonyl)-3-bromoanilino]-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(N-besyl-3-bromo-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C24H23BrN2O5S MolecularWeight: 531.41882

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H23BrN2O5S/c1-3-32-24(29)18-12-13-22(17(2)14-18)26-23(28)16-27(20-9-7-8-19(25)15-20)33(30,31)21-10-5-4-6-11-21/h4-15H,3,16H2,1-2H3,(H,26,28)