[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)acrylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O7S/c25-21(15-29-22(26)9-7-17-6-8-19-20(14-17)31-16-30-19)23-10-12-24(13-11-23)32(27,28)18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2