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

Systemtic Name: S-[2-[(4-pentylphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]propyl] ethanethioate Openeye Name: S-[2-[(4-pentylphenyl)sulfonyl-[2-(1-piperidyl)ethyl]amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4-pentylphenyl)sulfonyl-[2-(1-piperidinyl)ethyl]amino]propyl] ester IUPAC Name: S-[2-[(4-pentylphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4-amylphenyl)sulfonyl-(2-piperidinoethyl)amino]propyl] ester Formula: C23H38N2O3S2 MolecularWeight: 454.68942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCCCC2)C(C)CSC(=O)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCCCC2)C(C)CSC(=O)C

InChI

InChI=1S/C23H38N2O3S2/c1-4-5-7-10-22-11-13-23(14-12-22)30(27,28)25(20(2)19-29-21(3)26)18-17-24-15-8-6-9-16-24/h11-14,20H,4-10,15-19H2,1-3H3