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

Systemtic Name: ethyl 4-[2-[(2-bromophenyl)-methylsulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-(2-bromo-N-methylsulfonyl-anilino)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(2-bromo-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(2-bromo-N-mesyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=CC=C2Br)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=CC=C2Br)S(=O)(=O)C)C

InChI

InChI=1S/C19H21BrN2O5S/c1-4-27-19(24)14-9-10-16(13(2)11-14)21-18(23)12-22(28(3,25)26)17-8-6-5-7-15(17)20/h5-11H,4,12H2,1-3H3,(H,21,23)