dimethyl 3-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethyl]cyclohexa-1,4-diene-1,2-dicarboxylate

Systemtic Name: dimethyl 3-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethyl]cyclohexa-1,4-diene-1,2-dicarboxylate Openeye Name: dimethyl 3-[2-[methyl(p-tolylsulfonyl)amino]ethyl]cyclohexa-1,4-diene-1,2-dicarboxylate CAS Name: 3-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]cyclohexa-1,4-diene-1,2-dicarboxylate Traditional Name: 3-[2-[methyl(tosyl)amino]ethyl]cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CCC2C=CCC(=C2C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CCC2C=CCC(=C2C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H25NO6S/c1-14-8-10-16(11-9-14)28(24,25)21(2)13-12-15-6-5-7-17(19(22)26-3)18(15)20(23)27-4/h5-6,8-11,15H,7,12-13H2,1-4H3