methyl 4-(4-methoxyphenyl)sulfonyl-1-(2-methylprop-2-enoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-(2-methylprop-2-enoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-(2-methylprop-2-enoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-methyl-1-oxoprop-2-enyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-(2-methylprop-2-enoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-methacryloyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC(=C)C(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C22H24N2O6S/c1-15(2)21(25)23-14-20(22(26)30-4)24(13-16-7-5-6-8-19(16)23)31(27,28)18-11-9-17(29-3)10-12-18/h5-12,20H,1,13-14H2,2-4H3