1-(3-methylsulfonylpyridin-2-yl)-4-(4-phenylbut-1-en-3-yn-2-yl)piperazine

Systemtic Name: 1-(3-methylsulfonylpyridin-2-yl)-4-(4-phenylbut-1-en-3-yn-2-yl)piperazine Openeye Name: 1-(1-methylene-3-phenyl-prop-2-ynyl)-4-(3-methylsulfonyl-2-pyridyl)piperazine CAS Name: 1-(3-methylsulfonyl-2-pyridinyl)-4-(4-phenylbut-1-en-3-yn-2-yl)piperazine IUPAC Name: 1-(3-methylsulfonylpyridin-2-yl)-4-(4-phenylbut-1-en-3-yn-2-yl)piperazine Traditional Name: 1-(3-mesyl-2-pyridyl)-4-(1-methylene-3-phenyl-prop-2-ynyl)piperazine Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N=CC=C1)N2CCN(CC2)C(=C)C#CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=C(N=CC=C1)N2CCN(CC2)C(=C)C#CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-17(10-11-18-7-4-3-5-8-18)22-13-15-23(16-14-22)20-19(26(2,24)25)9-6-12-21-20/h3-9,12H,1,13-16H2,2H3