1-[3-[4-(phenylmethyl)piperidin-1-yl]phenyl]but-2-yne-1-sulfonamide

Systemtic Name: 1-[3-[4-(phenylmethyl)piperidin-1-yl]phenyl]but-2-yne-1-sulfonamide Openeye Name: 1-[3-(4-benzyl-1-piperidyl)phenyl]but-2-yne-1-sulfonamide CAS Name: 1-[3-[4-(phenylmethyl)-1-piperidinyl]phenyl]-2-butyne-1-sulfonamide IUPAC Name: 1-[3-(4-benzylpiperidin-1-yl)phenyl]but-2-yne-1-sulfonamide Traditional Name: 1-[3-(4-benzylpiperidino)phenyl]but-2-yne-1-sulfonamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C1=CC(=CC=C1)N2CCC(CC2)CC3=CC=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC#CC(C1=CC(=CC=C1)N2CCC(CC2)CC3=CC=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C22H26N2O2S/c1-2-7-22(27(23,25)26)20-10-6-11-21(17-20)24-14-12-19(13-15-24)16-18-8-4-3-5-9-18/h3-6,8-11,17,19,22H,12-16H2,1H3,(H2,23,25,26)