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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 6-methoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl 6-methoxy-2-oxo-chromene-3-carboxylate CAS Name: 6-methoxy-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-methoxy-2-oxochromene-3-carboxylate Traditional Name: 2-keto-6-methoxy-chromene-3-carboxylic acid 2-(4-tosylpiperazino)ethyl ester Formula: C24H26N2O7S MolecularWeight: 486.53744

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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)OC)OC3=O

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O7S/c1-17-3-6-20(7-4-17)34(29,30)26-11-9-25(10-12-26)13-14-32-23(27)21-16-18-15-19(31-2)5-8-22(18)33-24(21)28/h3-8,15-16H,9-14H2,1-2H3