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

Systemtic Name: methyl 4-[[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]methyl]benzoate Openeye Name: methyl 4-[(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)methyl]benzoate CAS Name: 4-[(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)methyl]benzoate Traditional Name: 4-[(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)methyl]benzoic acid methyl ester Formula: C23H22BrNO5S MolecularWeight: 504.39348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C23H22BrNO5S/c1-16-4-10-19(11-5-16)25(15-17-6-8-18(9-7-17)23(26)30-3)31(27,28)20-12-13-22(29-2)21(24)14-20/h4-14H,15H2,1-3H3