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

Systemtic Name: phenyl 4-(4-methylsulfanyl-2-propyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-methylsulfanyl-2-propyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[4-(methylthio)-2-propylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-methylsulfanyl-2-propylphenyl)piperazine-2-sulfonate Traditional Name: 4-[4-(methylthio)-2-propyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)SC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC(=C1)SC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O3S2/c1-3-7-16-14-18(26-2)10-11-19(16)22-13-12-21-20(15-22)27(23,24)25-17-8-5-4-6-9-17/h4-6,8-11,14,20-21H,3,7,12-13,15H2,1-2H3