ethyl 5-[2-[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]ethanoylamino]-2-chloranyl-benzoate

Systemtic Name: ethyl 5-[2-[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]ethanoylamino]-2-chloranyl-benzoate Openeye Name: ethyl 5-[[2-(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)acetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-1-oxoethyl]amino]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 5-[[2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)acetyl]amino]-2-chloro-benzoic acid ethyl ester Formula: C25H24BrClN2O6S MolecularWeight: 595.88986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC(=C(C=C3)OC)Br)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC(=C(C=C3)OC)Br)Cl

InChI

InChI=1S/C25H24BrClN2O6S/c1-4-35-25(31)20-13-17(7-11-22(20)27)28-24(30)15-29(18-8-5-16(2)6-9-18)36(32,33)19-10-12-23(34-3)21(26)14-19/h5-14H,4,15H2,1-3H3,(H,28,30)