4-chloranyl-3-[2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]ethanoylamino]benzoate

Systemtic Name: 4-chloranyl-3-[2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]ethanoylamino]benzoate Openeye Name: 4-chloro-3-[[2-[4-[methyl(p-tolylsulfonyl)amino]phenoxy]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-1-oxoethyl]amino]benzoate IUPAC Name: 4-chloro-3-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[4-[methyl(tosyl)amino]phenoxy]acetyl]amino]benzoate Formula: C23H20ClN2O6S- MolecularWeight: 487.9327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=C(C=CC(=C3)C(=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3=C(C=CC(=C3)C(=O)[O-])Cl

InChI

InChI=1S/C23H21ClN2O6S/c1-15-3-10-19(11-4-15)33(30,31)26(2)17-6-8-18(9-7-17)32-14-22(27)25-21-13-16(23(28)29)5-12-20(21)24/h3-13H,14H2,1-2H3,(H,25,27)(H,28,29)/p-1