[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-chloro-3-indolin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-indolin-1-ylsulfonyl-benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C25H21ClN2O7S MolecularWeight: 528.96144

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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)OCC(=O)NCC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)NCC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C25H21ClN2O7S/c26-19-7-6-18(12-23(19)36(31,32)28-10-9-17-3-1-2-4-20(17)28)25(30)33-14-24(29)27-13-16-5-8-21-22(11-16)35-15-34-21/h1-8,11-12H,9-10,13-15H2,(H,27,29)