ethyl 4-[4-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(1-oxoisochromane-3-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1-oxo-3,4-dihydroisochromene-3-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(1-ketoisochroman-3-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H24N2O7S MolecularWeight: 472.51086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C23H24N2O7S/c1-2-31-22(27)16-7-9-18(10-8-16)33(29,30)25-13-11-24(12-14-25)21(26)20-15-17-5-3-4-6-19(17)23(28)32-20/h3-10,20H,2,11-15H2,1H3