[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 3-methylquinoline-8-sulfonate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 3-methylquinoline-8-sulfonate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 3-methylquinoline-8-sulfonate CAS Name: 3-methyl-8-quinolinesulfonic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 3-methylquinoline-8-sulfonate Traditional Name: 3-methylquinoline-8-sulfonic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)OC3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)OC3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C20H18N2O4S/c1-14-12-15-4-2-5-18(20(15)21-13-14)27(24,25)26-17-9-7-16(8-10-17)22-11-3-6-19(22)23/h2,4-5,7-10,12-13H,3,6,11H2,1H3