dimethyl 2-[[4-[methylsulfonyl(prop-2-enyl)amino]phenyl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[4-[methylsulfonyl(prop-2-enyl)amino]phenyl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[4-[allyl(methylsulfonyl)amino]benzoyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[4-[methylsulfonyl(prop-2-enyl)amino]phenyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[methylsulfonyl(prop-2-enyl)amino]benzoyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[4-[allyl(mesyl)amino]benzoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c1-5-12-23(31(4,27)28)16-9-6-14(7-10-16)19(24)22-18-13-15(20(25)29-2)8-11-17(18)21(26)30-3/h5-11,13H,1,12H2,2-4H3,(H,22,24)