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

Systemtic Name: ethyl 3-[2-[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]ethanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[2-(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C26H27BrN2O6S MolecularWeight: 575.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN2O6S/c1-5-35-26(31)19-9-8-18(3)23(14-19)28-25(30)16-29(20-10-6-17(2)7-11-20)36(32,33)21-12-13-24(34-4)22(27)15-21/h6-15H,5,16H2,1-4H3,(H,28,30)