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

Systemtic Name: methyl 3-[2-[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H25BrN2O6S MolecularWeight: 561.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C25H25BrN2O6S/c1-16-5-9-19(10-6-16)28(35(31,32)20-11-12-23(33-3)21(26)14-20)15-24(29)27-22-13-18(25(30)34-4)8-7-17(22)2/h5-14H,15H2,1-4H3,(H,27,29)