[4-(2-propan-2-ylquinolin-3-yl)sulfonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-propan-2-ylquinolin-3-yl)sulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(2-isopropyl-3-quinolyl)sulfonyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2-propan-2-yl-3-quinolinyl)sulfonyl]phenyl] ester IUPAC Name: [4-(2-propan-2-ylquinolin-3-yl)sulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(2-isopropyl-3-quinolyl)sulfonyl]phenyl] ester Formula: C25H23NO5S2 MolecularWeight: 481.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C3=CC4=CC=CC=C4N=C3C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C3=CC4=CC=CC=C4N=C3C(C)C

InChI

InChI=1S/C25H23NO5S2/c1-17(2)25-24(16-19-6-4-5-7-23(19)26-25)32(27,28)21-14-10-20(11-15-21)31-33(29,30)22-12-8-18(3)9-13-22/h4-17H,1-3H3