[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylethanoate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylethanoate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(p-tolylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)thio]acetic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate Traditional Name: 2-(p-tolylthio)acetic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H26N2O5S2/c1-19-6-9-22(10-7-19)33-18-25(29)32-17-24(28)26-12-14-27(15-13-26)34(30,31)23-11-8-20-4-2-3-5-21(20)16-23/h2-11,16H,12-15,17-18H2,1H3