[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-(4-methoxyphenoxy)butanoate

Systemtic Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-(4-methoxyphenoxy)butanoate Openeye Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 4-(4-methoxyphenoxy)butanoate CAS Name: 4-(4-methoxyphenoxy)butanoic acid [2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate Traditional Name: 4-(4-methoxyphenoxy)butyric 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:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCCOC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCCOC3=CC=C(C=C3)OC)C

InChI

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