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

Systemtic Name: methyl 2-methyl-3-[[4-[methylsulfonyl(prop-2-enyl)amino]phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-[allyl(methylsulfonyl)amino]benzoyl]amino]-2-methyl-benzoate CAS Name: 2-methyl-3-[[[4-[methylsulfonyl(prop-2-enyl)amino]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[[4-[methylsulfonyl(prop-2-enyl)amino]benzoyl]amino]benzoate Traditional Name: 3-[[4-[allyl(mesyl)amino]benzoyl]amino]-2-methyl-benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C20H22N2O5S/c1-5-13-22(28(4,25)26)16-11-9-15(10-12-16)19(23)21-18-8-6-7-17(14(18)2)20(24)27-3/h5-12H,1,13H2,2-4H3,(H,21,23)