methyl 3-bromanyl-4-[(4-methylphenyl)sulfonyl-[(2Z)-2-phenylmethoxyiminoethyl]amino]benzoate

Systemtic Name: methyl 3-bromanyl-4-[(4-methylphenyl)sulfonyl-[(2Z)-2-phenylmethoxyiminoethyl]amino]benzoate Openeye Name: methyl 4-[[(2Z)-2-benzyloxyiminoethyl]-(p-tolylsulfonyl)amino]-3-bromo-benzoate CAS Name: 3-bromo-4-[(4-methylphenyl)sulfonyl-[(2Z)-2-phenylmethoxyiminoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[(4-methylphenyl)sulfonyl-[(2Z)-2-phenylmethoxyiminoethyl]amino]benzoate Traditional Name: 4-[[(2Z)-2-benzyloximinoethyl]-tosyl-amino]-3-bromo-benzoic acid methyl ester Formula: C24H23BrN2O5S MolecularWeight: 531.41882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=NOCC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C/C=N\OCC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)OC)Br

InChI

InChI=1S/C24H23BrN2O5S/c1-18-8-11-21(12-9-18)33(29,30)27(15-14-26-32-17-19-6-4-3-5-7-19)23-13-10-20(16-22(23)25)24(28)31-2/h3-14,16H,15,17H2,1-2H3/b26-14-