O1-methyl O4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester O1-methyl ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H24N2O7S/c1-33-24(29)19-6-8-20(9-7-19)25(30)34-17-23(28)26-12-14-27(15-13-26)35(31,32)22-11-10-18-4-2-3-5-21(18)16-22/h2-11,16H,12-15,17H2,1H3