N-[4-[4-(4-phenylsulfanylpiperidin-1-yl)but-1-ynyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[4-(4-phenylsulfanylpiperidin-1-yl)but-1-ynyl]phenyl]methanesulfonamide Openeye Name: N-[4-[4-(4-phenylsulfanyl-1-piperidyl)but-1-ynyl]phenyl]methanesulfonamide CAS Name: N-[4-[4-[4-(phenylthio)-1-piperidinyl]but-1-ynyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-(4-phenylsulfanylpiperidin-1-yl)but-1-ynyl]phenyl]methanesulfonamide Traditional Name: N-[4-[4-[4-(phenylthio)piperidino]but-1-ynyl]phenyl]methanesulfonamide Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C#CCCN2CCC(CC2)SC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C#CCCN2CCC(CC2)SC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S2/c1-28(25,26)23-20-12-10-19(11-13-20)7-5-6-16-24-17-14-22(15-18-24)27-21-8-3-2-4-9-21/h2-4,8-13,22-23H,6,14-18H2,1H3