[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 5-indolin-1-ylsulfonyl-2-methoxy-benzoate CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-indolin-1-ylsulfonyl-2-methoxy-benzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C25H21NO8S MolecularWeight: 495.50114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21NO8S/c1-31-22-9-7-18(35(29,30)26-11-10-16-4-2-3-5-20(16)26)13-19(22)25(28)32-14-21(27)17-6-8-23-24(12-17)34-15-33-23/h2-9,12-13H,10-11,14-15H2,1H3