[4-(8,8-dimethyl-6-oxidanylidene-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)phenyl] propane-1-sulfonate

Systemtic Name: [4-(8,8-dimethyl-6-oxidanylidene-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)phenyl] propane-1-sulfonate Openeye Name: [4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-(6-keto-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)phenyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CC=C(C=C1)C2=NC3=C(N2)C=C4C(=C3)NC(=O)CC4(C)C

Isomeric SMILES

CCCS(=O)(=O)OC1=CC=C(C=C1)C2=NC3=C(N2)C=C4C(=C3)NC(=O)CC4(C)C

InChI

InChI=1S/C21H23N3O4S/c1-4-9-29(26,27)28-14-7-5-13(6-8-14)20-23-17-10-15-16(11-18(17)24-20)22-19(25)12-21(15,2)3/h5-8,10-11H,4,9,12H2,1-3H3,(H,22,25)(H,23,24)