[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C20H19ClN2O7S MolecularWeight: 466.89206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O7S/c21-16-10-14(11-17-19(16)30-13-29-17)20(25)28-12-18(24)22-6-8-23(9-7-22)31(26,27)15-4-2-1-3-5-15/h1-5,10-11H,6-9,12-13H2