2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl 6,8-bis(bromanyl)-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl 6,8-bis(bromanyl)-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl 6,8-dibromo-2-oxo-chromene-3-carboxylate CAS Name: 6,8-dibromo-2-oxo-1-benzopyran-3-carboxylic acid 2-[4-(benzenesulfonyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl 6,8-dibromo-2-oxochromene-3-carboxylate Traditional Name: 6,8-dibromo-2-keto-chromene-3-carboxylic acid 2-(4-besylpiperazino)ethyl ester Formula: C22H20Br2N2O6S MolecularWeight: 600.277

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20Br2N2O6S/c23-16-12-15-13-18(22(28)32-20(15)19(24)14-16)21(27)31-11-10-25-6-8-26(9-7-25)33(29,30)17-4-2-1-3-5-17/h1-5,12-14H,6-11H2