phenyl 3-ethyl-4-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 3-ethyl-4-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 3-ethyl-4-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate CAS Name: 3-ethyl-4-[3-(methylthio)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-ethyl-4-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Traditional Name: 3-ethyl-4-[3-(methylthio)piperazino]benzenesulfonic acid phenyl ester Formula: C19H24N2O3S2 MolecularWeight: 392.53546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C19H24N2O3S2/c1-3-15-13-17(26(22,23)24-16-7-5-4-6-8-16)9-10-18(15)21-12-11-20-19(14-21)25-2/h4-10,13,19-20H,3,11-12,14H2,1-2H3