S-[2-[(4-butoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]propyl] ethanethioate

Systemtic Name: S-[2-[(4-butoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]propyl] ethanethioate Openeye Name: S-[2-[(4-butoxyphenyl)sulfonyl-[2-(1-piperidyl)ethyl]amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4-butoxyphenyl)sulfonyl-[2-(1-piperidinyl)ethyl]amino]propyl] ester IUPAC Name: S-[2-[(4-butoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4-butoxyphenyl)sulfonyl-(2-piperidinoethyl)amino]propyl] ester Formula: C22H36N2O4S2 MolecularWeight: 456.66224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCCCC2)C(C)CSC(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCCCC2)C(C)CSC(=O)C

InChI

InChI=1S/C22H36N2O4S2/c1-4-5-17-28-21-9-11-22(12-10-21)30(26,27)24(19(2)18-29-20(3)25)16-15-23-13-7-6-8-14-23/h9-12,19H,4-8,13-18H2,1-3H3