4-phenylsulfanyl-N-(2-piperidin-1-ylethyl)-N-(1-sulfanylpropan-2-yl)benzenesulfonamide

Systemtic Name: 4-phenylsulfanyl-N-(2-piperidin-1-ylethyl)-N-(1-sulfanylpropan-2-yl)benzenesulfonamide Openeye Name: N-(1-methyl-2-sulfanyl-ethyl)-4-phenylsulfanyl-N-[2-(1-piperidyl)ethyl]benzenesulfonamide CAS Name: N-(1-mercaptopropan-2-yl)-4-(phenylthio)-N-[2-(1-piperidinyl)ethyl]benzenesulfonamide IUPAC Name: 4-phenylsulfanyl-N-(2-piperidin-1-ylethyl)-N-(1-sulfanylpropan-2-yl)benzenesulfonamide Traditional Name: N-(2-mercapto-1-methyl-ethyl)-4-(phenylthio)-N-(2-piperidinoethyl)benzenesulfonamide Formula: C22H30N2O2S3 MolecularWeight: 450.6808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S3/c1-19(18-27)24(17-16-23-14-6-3-7-15-23)29(25,26)22-12-10-21(11-13-22)28-20-8-4-2-5-9-20/h2,4-5,8-13,19,27H,3,6-7,14-18H2,1H3