[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C22H23ClN2O7S MolecularWeight: 494.94522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C22H23ClN2O7S/c1-15(32-22(27)16-13-18(23)20-19(14-16)30-11-12-31-20)21(26)24-7-9-25(10-8-24)33(28,29)17-5-3-2-4-6-17/h2-6,13-15H,7-12H2,1H3