[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C26H24N2O7S MolecularWeight: 508.54296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H24N2O7S/c29-25(27-15-18-10-11-23-24(13-18)35-17-34-23)16-33-26(30)20-6-3-8-21(14-20)36(31,32)28-12-4-7-19-5-1-2-9-22(19)28/h1-3,5-6,8-11,13-14H,4,7,12,15-17H2,(H,27,29)