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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 6,8-bis(bromanyl)-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-[4-(p-tolylsulfonyl)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-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 6,8-dibromo-2-oxochromene-3-carboxylate Traditional Name: 6,8-dibromo-2-keto-chromene-3-carboxylic acid 2-(4-tosylpiperazino)ethyl ester Formula: C23H22Br2N2O6S MolecularWeight: 614.30358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC(=O)C3=CC4=CC(=CC(=C4OC3=O)Br)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC(=O)C3=CC4=CC(=CC(=C4OC3=O)Br)Br

InChI

InChI=1S/C23H22Br2N2O6S/c1-15-2-4-18(5-3-15)34(30,31)27-8-6-26(7-9-27)10-11-32-22(28)19-13-16-12-17(24)14-20(25)21(16)33-23(19)29/h2-5,12-14H,6-11H2,1H3