methyl 3-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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