[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-methoxy-4-propoxy-benzoate

Systemtic Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-methoxy-4-propoxy-benzoate Openeye Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 3-methoxy-4-propoxy-benzoate CAS Name: 3-methoxy-4-propoxybenzoic acid [2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-methoxy-4-propoxybenzoate Traditional Name: 3-methoxy-4-propoxy-benzoic acid [2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C25H32N2O7S MolecularWeight: 504.59578

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C)OC

InChI

InChI=1S/C25H32N2O7S/c1-5-14-33-21-8-7-20(16-22(21)32-4)25(29)34-17-24(28)26-10-12-27(13-11-26)35(30,31)23-9-6-18(2)15-19(23)3/h6-9,15-16H,5,10-14,17H2,1-4H3