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

Systemtic Name: methyl 3-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-bromo-N-mesyl-3-methyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)NC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)NC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)C)Br

InChI

InChI=1S/C18H19BrN2O5S/c1-12-9-15(7-8-16(12)19)21(27(3,24)25)11-17(22)20-14-6-4-5-13(10-14)18(23)26-2/h4-10H,11H2,1-3H3,(H,20,22)