S-[[1-(4-butoxyphenyl)sulfonylpiperidin-2-yl]methyl] ethanethioate

Systemtic Name: S-[[1-(4-butoxyphenyl)sulfonylpiperidin-2-yl]methyl] ethanethioate Openeye Name: S-[[1-(4-butoxyphenyl)sulfonyl-2-piperidyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[1-(4-butoxyphenyl)sulfonyl-2-piperidinyl]methyl] ester IUPAC Name: S-[[1-(4-butoxyphenyl)sulfonylpiperidin-2-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[1-(4-butoxyphenyl)sulfonyl-2-piperidyl]methyl] ester Formula: C18H27NO4S2 MolecularWeight: 385.54128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CSC(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CSC(=O)C

InChI

InChI=1S/C18H27NO4S2/c1-3-4-13-23-17-8-10-18(11-9-17)25(21,22)19-12-6-5-7-16(19)14-24-15(2)20/h8-11,16H,3-7,12-14H2,1-2H3