ethyl 2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[2-keto-2-(4-tosylpiperazino)ethyl]thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N2O6S2/c1-3-28-21(25)18-8-13-29-19(18)14-30-15-20(24)22-9-11-23(12-10-22)31(26,27)17-6-4-16(2)5-7-17/h4-8,13H,3,9-12,14-15H2,1-2H3