2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 8-methoxy-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 8-methoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl 8-methoxy-2-oxo-chromene-3-carboxylate CAS Name: 8-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 8-methoxy-2-oxochromene-3-carboxylate Traditional Name: 2-keto-8-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/c1-17-6-8-19(9-7-17)34(29,30)26-12-10-25(11-13-26)14-15-32-23(27)20-16-18-4-3-5-21(31-2)22(18)33-24(20)28/h3-9,16H,10-15H2,1-2H3