(3-propan-2-ylphenyl) 6-chloranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-7-sulfonate

Systemtic Name: (3-propan-2-ylphenyl) 6-chloranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-7-sulfonate Openeye Name: (3-isopropylphenyl) 6-chloro-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonate CAS Name: 6-chloro-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 6-chloro-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonate Traditional Name: 6-chloro-2-keto-3,4-dihydro-1H-quinoline-7-sulfonic acid m-cumenyl ester Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OS(=O)(=O)C2=C(C=C3CCC(=O)NC3=C2)Cl

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OS(=O)(=O)C2=C(C=C3CCC(=O)NC3=C2)Cl

InChI

InChI=1S/C18H18ClNO4S/c1-11(2)12-4-3-5-14(8-12)24-25(22,23)17-10-16-13(9-15(17)19)6-7-18(21)20-16/h3-5,8-11H,6-7H2,1-2H3,(H,20,21)