(2-methylquinolin-8-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Traditional Name: 4-pyrrolidinosulfonylbenzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C=C1

InChI

InChI=1S/C20H20N2O5S2/c1-15-7-8-16-5-4-6-19(20(16)21-15)27-29(25,26)18-11-9-17(10-12-18)28(23,24)22-13-2-3-14-22/h4-12H,2-3,13-14H2,1H3