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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 8-ethoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl 8-ethoxy-2-oxo-chromene-3-carboxylate CAS Name: 8-ethoxy-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-ethoxy-2-oxochromene-3-carboxylate Traditional Name: 8-ethoxy-2-keto-chromene-3-carboxylic acid 2-(4-tosylpiperazino)ethyl ester Formula: C25H28N2O7S MolecularWeight: 500.56402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCCN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCCN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H28N2O7S/c1-3-32-22-6-4-5-19-17-21(25(29)34-23(19)22)24(28)33-16-15-26-11-13-27(14-12-26)35(30,31)20-9-7-18(2)8-10-20/h4-10,17H,3,11-16H2,1-2H3