1-[4-(4-phenylsulfanylpiperidin-1-yl)phenyl]pent-2-yne-1-sulfonamide

Systemtic Name: 1-[4-(4-phenylsulfanylpiperidin-1-yl)phenyl]pent-2-yne-1-sulfonamide Openeye Name: 1-[4-(4-phenylsulfanyl-1-piperidyl)phenyl]pent-2-yne-1-sulfonamide CAS Name: 1-[4-[4-(phenylthio)-1-piperidinyl]phenyl]-2-pentyne-1-sulfonamide IUPAC Name: 1-[4-(4-phenylsulfanylpiperidin-1-yl)phenyl]pent-2-yne-1-sulfonamide Traditional Name: 1-[4-[4-(phenylthio)piperidino]phenyl]pent-2-yne-1-sulfonamide Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C1=CC=C(C=C1)N2CCC(CC2)SC3=CC=CC=C3)S(=O)(=O)N

Isomeric SMILES

CCC#CC(C1=CC=C(C=C1)N2CCC(CC2)SC3=CC=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C22H26N2O2S2/c1-2-3-9-22(28(23,25)26)18-10-12-19(13-11-18)24-16-14-21(15-17-24)27-20-7-5-4-6-8-20/h4-8,10-13,21-22H,2,14-17H2,1H3,(H2,23,25,26)