[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C21H21N3O9S MolecularWeight: 491.47114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O9S/c25-20(22-6-8-23(9-7-22)34(29,30)15-4-2-1-3-5-15)14-33-21(26)16-12-18-19(32-11-10-31-18)13-17(16)24(27)28/h1-5,12-13H,6-11,14H2