4-methoxy-N-[[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]methyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[[(3S)-1-(3-phenylprop-2-ynoyl)-3-piperidyl]methyl]benzenesulfonamide CAS Name: 4-methoxy-N-[[(3S)-1-(1-oxo-3-phenylprop-2-ynyl)-3-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]methyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[[(3S)-1-(3-phenylpropioloyl)-3-piperidyl]methyl]benzenesulfonamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2CCCN(C2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S/c1-28-20-10-12-21(13-11-20)29(26,27)23-16-19-8-5-15-24(17-19)22(25)14-9-18-6-3-2-4-7-18/h2-4,6-7,10-13,19,23H,5,8,15-17H2,1H3/t19-/m1/s1