[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3COC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C23H26N2O7S/c1-16-7-8-21(17(2)13-16)33(28,29)25-11-9-24(10-12-25)22(26)15-31-23(27)20-14-30-18-5-3-4-6-19(18)32-20/h3-8,13,20H,9-12,14-15H2,1-2H3