1,3-benzodioxol-5-yl 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-chloro-3-indolin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-indolin-1-ylsulfonyl-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C22H16ClNO6S MolecularWeight: 457.88354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C22H16ClNO6S/c23-17-7-5-15(22(25)30-16-6-8-19-20(12-16)29-13-28-19)11-21(17)31(26,27)24-10-9-14-3-1-2-4-18(14)24/h1-8,11-12H,9-10,13H2