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

Systemtic Name: S-[2-[(4-phenylsulfanylphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]propyl] ethanethioate Openeye Name: S-[2-[(4-phenylsulfanylphenyl)sulfonyl-[2-(1-piperidyl)ethyl]amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[4-(phenylthio)phenyl]sulfonyl-[2-(1-piperidinyl)ethyl]amino]propyl] ester IUPAC Name: S-[2-[(4-phenylsulfanylphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[4-(phenylthio)phenyl]sulfonyl-(2-piperidinoethyl)amino]propyl] ester Formula: C24H32N2O3S3 MolecularWeight: 492.71748

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)N(CCN1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(CSC(=O)C)N(CCN1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O3S3/c1-20(19-30-21(2)27)26(18-17-25-15-7-4-8-16-25)32(28,29)24-13-11-23(12-14-24)31-22-9-5-3-6-10-22/h3,5-6,9-14,20H,4,7-8,15-19H2,1-2H3