phenyl 4-(2-ethyl-4-methylsulfanyl-phenyl)piperazine-2-sulfonate

Systemtic Name: phenyl 4-(2-ethyl-4-methylsulfanyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(2-ethyl-4-methylsulfanyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[2-ethyl-4-(methylthio)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(2-ethyl-4-methylsulfanylphenyl)piperazine-2-sulfonate Traditional Name: 4-[2-ethyl-4-(methylthio)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C19H24N2O3S2 MolecularWeight: 392.53546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)SC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=CC(=C1)SC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

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