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

Systemtic Name: ethyl 4-[[4-[[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]methyl]phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)methyl]benzoyl]amino]benzoate CAS Name: 4-[[[4-[(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)methyl]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)methyl]benzoyl]amino]benzoate Traditional Name: 4-[[4-[(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)methyl]benzoyl]amino]benzoic acid ethyl ester Formula: C31H29BrN2O6S MolecularWeight: 637.54076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN(C3=CC=C(C=C3)C)S(=O)(=O)C4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN(C3=CC=C(C=C3)C)S(=O)(=O)C4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C31H29BrN2O6S/c1-4-40-31(36)24-11-13-25(14-12-24)33-30(35)23-9-7-22(8-10-23)20-34(26-15-5-21(2)6-16-26)41(37,38)27-17-18-29(39-3)28(32)19-27/h5-19H,4,20H2,1-3H3,(H,33,35)