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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic 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)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O7S/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/h1-6,8,14H,7,9-13,15-16H2