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

Systemtic Name: ethyl 4-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(4-bromo-N-mesyl-3-methyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O5S/c1-5-28-20(25)15-6-9-18(14(3)10-15)22-19(24)12-23(29(4,26)27)16-7-8-17(21)13(2)11-16/h6-11H,5,12H2,1-4H3,(H,22,24)