(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzenesulfonic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Traditional Name: 4-pyrrolidinosulfonylbenzenesulfonic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)NC(=O)CC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)NC(=O)CC4

InChI

InChI=1S/C19H20N2O6S2/c22-19-10-3-14-13-15(4-9-18(14)20-19)27-29(25,26)17-7-5-16(6-8-17)28(23,24)21-11-1-2-12-21/h4-9,13H,1-3,10-12H2,(H,20,22)