S-[2-(4-methylpiperazin-1-yl)ethyl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanethioate

Systemtic Name: S-[2-(4-methylpiperazin-1-yl)ethyl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanethioate Openeye Name: S-[2-(4-methylpiperazin-1-yl)ethyl] 2-cyclopentyl-2-hydroxy-2-phenyl-ethanethioate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylethanethioic acid S-[2-(4-methyl-1-piperazinyl)ethyl] ester IUPAC Name: S-[2-(4-methylpiperazin-1-yl)ethyl] 2-cyclopentyl-2-hydroxy-2-phenylethanethioate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-ethanethioic acid S-[2-(4-methylpiperazino)ethyl] ester Formula: C20H30N2O2S MolecularWeight: 362.5294

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCSC(=O)C(C2CCCC2)(C3=CC=CC=C3)O

Isomeric SMILES

CN1CCN(CC1)CCSC(=O)C(C2CCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C20H30N2O2S/c1-21-11-13-22(14-12-21)15-16-25-19(23)20(24,18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,18,24H,5-6,9-16H2,1H3