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

Systemtic Name: methyl 3-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-(4-bromo-N-mesyl-3-methyl-anilino)acetyl]amino]-4-chloro-benzoic acid methyl ester Formula: C18H18BrClN2O5S MolecularWeight: 489.76792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrClN2O5S/c1-11-8-13(5-6-14(11)19)22(28(3,25)26)10-17(23)21-16-9-12(18(24)27-2)4-7-15(16)20/h4-9H,10H2,1-3H3,(H,21,23)