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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl 6-bromo-2-oxo-chromene-3-carboxylate CAS Name: 6-bromo-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-bromo-2-oxochromene-3-carboxylate Traditional Name: 6-bromo-2-keto-chromene-3-carboxylic acid 2-(4-tosylpiperazino)ethyl ester Formula: C23H23BrN2O6S MolecularWeight: 535.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C23H23BrN2O6S/c1-16-2-5-19(6-3-16)33(29,30)26-10-8-25(9-11-26)12-13-31-22(27)20-15-17-14-18(24)4-7-21(17)32-23(20)28/h2-7,14-15H,8-13H2,1H3