1-(4-methoxyphenyl)-4-[(E)-4-(3-methoxyphenyl)but-1-en-3-ynyl]sulfonyl-piperazine

Systemtic Name: 1-(4-methoxyphenyl)-4-[(E)-4-(3-methoxyphenyl)but-1-en-3-ynyl]sulfonyl-piperazine Openeye Name: 1-(4-methoxyphenyl)-4-[(E)-4-(3-methoxyphenyl)but-1-en-3-ynyl]sulfonyl-piperazine CAS Name: 1-(4-methoxyphenyl)-4-[(E)-4-(3-methoxyphenyl)but-1-en-3-ynyl]sulfonylpiperazine IUPAC Name: 1-(4-methoxyphenyl)-4-[(E)-4-(3-methoxyphenyl)but-1-en-3-ynyl]sulfonylpiperazine Traditional Name: 1-(4-methoxyphenyl)-4-[(E)-4-(3-methoxyphenyl)but-1-en-3-ynyl]sulfonyl-piperazine Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-27-21-11-9-20(10-12-21)23-13-15-24(16-14-23)29(25,26)17-4-3-6-19-7-5-8-22(18-19)28-2/h4-5,7-12,17-18H,13-16H2,1-2H3/b17-4+