1-(4-methoxyphenyl)-4-[(Z)-4-pyridin-3-ylbut-1-en-3-ynyl]sulfonyl-piperazine

Systemtic Name: 1-(4-methoxyphenyl)-4-[(Z)-4-pyridin-3-ylbut-1-en-3-ynyl]sulfonyl-piperazine Openeye Name: 1-(4-methoxyphenyl)-4-[(Z)-4-(3-pyridyl)but-1-en-3-ynyl]sulfonyl-piperazine CAS Name: 1-(4-methoxyphenyl)-4-[(Z)-4-(3-pyridinyl)but-1-en-3-ynyl]sulfonylpiperazine IUPAC Name: 1-(4-methoxyphenyl)-4-[(Z)-4-pyridin-3-ylbut-1-en-3-ynyl]sulfonylpiperazine Traditional Name: 1-(4-methoxyphenyl)-4-[(Z)-4-(3-pyridyl)but-1-en-3-ynyl]sulfonyl-piperazine Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C=CC#CC3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)/C=C\C#CC3=CN=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-26-20-9-7-19(8-10-20)22-12-14-23(15-13-22)27(24,25)16-3-2-5-18-6-4-11-21-17-18/h3-4,6-11,16-17H,12-15H2,1H3/b16-3-