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

Systemtic Name: ethyl 4-[2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-3-chloranyl-benzoate Openeye Name: ethyl 4-[[2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)acetyl]amino]-3-chloro-benzoate CAS Name: 4-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]amino]-3-chlorobenzoate Traditional Name: 4-[[2-(4-bromo-N-mesyl-3-methyl-anilino)acetyl]amino]-3-chloro-benzoic acid ethyl ester Formula: C19H20BrClN2O5S MolecularWeight: 503.7945

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrClN2O5S/c1-4-28-19(25)13-5-8-17(16(21)10-13)22-18(24)11-23(29(3,26)27)14-6-7-15(20)12(2)9-14/h5-10H,4,11H2,1-3H3,(H,22,24)