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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)NC2=CC=CC(=C2C)C(=O)OC)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)NC2=CC=CC(=C2C)C(=O)OC)S(=O)(=O)C)Br

InChI

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