methyl 4-chloranyl-3-[[4-[methylsulfonyl(prop-2-enyl)amino]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[4-[methylsulfonyl(prop-2-enyl)amino]phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-[allyl(methylsulfonyl)amino]benzoyl]amino]-4-chloro-benzoate CAS Name: 4-chloro-3-[[[4-[methylsulfonyl(prop-2-enyl)amino]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[4-[methylsulfonyl(prop-2-enyl)amino]benzoyl]amino]benzoate Traditional Name: 3-[[4-[allyl(mesyl)amino]benzoyl]amino]-4-chloro-benzoic acid methyl ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C

InChI

InChI=1S/C19H19ClN2O5S/c1-4-11-22(28(3,25)26)15-8-5-13(6-9-15)18(23)21-17-12-14(19(24)27-2)7-10-16(17)20/h4-10,12H,1,11H2,2-3H3,(H,21,23)