3-(1,3-benzodioxol-5-yl)-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(4-styrylsulfonylpiperazin-1-yl)prop-2-en-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2-phenylethenylsulfonyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(4-styrylsulfonylpiperazino)prop-2-en-1-one Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C=CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C=CC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O5S/c25-22(9-7-19-6-8-20-21(16-19)29-17-28-20)23-11-13-24(14-12-23)30(26,27)15-10-18-4-2-1-3-5-18/h1-10,15-16H,11-14,17H2