2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 8-methoxy-6-nitro-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 8-methoxy-6-nitro-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl 8-methoxy-6-nitro-2-oxo-chromene-3-carboxylate CAS Name: 8-methoxy-6-nitro-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-6-nitro-2-oxochromene-3-carboxylate Traditional Name: 2-keto-8-methoxy-6-nitro-chromene-3-carboxylic acid 2-(4-tosylpiperazino)ethyl ester Formula: C24H25N3O9S MolecularWeight: 531.535

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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)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC(=O)C3=CC4=CC(=CC(=C4OC3=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H25N3O9S/c1-16-3-5-19(6-4-16)37(32,33)26-9-7-25(8-10-26)11-12-35-23(28)20-14-17-13-18(27(30)31)15-21(34-2)22(17)36-24(20)29/h3-6,13-15H,7-12H2,1-2H3