(2-butan-2-ylphenyl) 1-ethanoyl-3,4-dihydro-2H-quinoline-6-sulfonate

Systemtic Name: (2-butan-2-ylphenyl) 1-ethanoyl-3,4-dihydro-2H-quinoline-6-sulfonate Openeye Name: (2-sec-butylphenyl) 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate CAS Name: 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate Traditional Name: 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonic acid (2-sec-butylphenyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C

InChI

InChI=1S/C21H25NO4S/c1-4-15(2)19-9-5-6-10-21(19)26-27(24,25)18-11-12-20-17(14-18)8-7-13-22(20)16(3)23/h5-6,9-12,14-15H,4,7-8,13H2,1-3H3