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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O5S/c1-16-2-6-18(7-3-16)29(25,26)23-12-10-22(11-13-23)21(24)9-5-17-4-8-19-20(14-17)28-15-27-19/h2-9,14H,10-13,15H2,1H3