[1-(4-acetamidophenyl)sulfonyl-2,2,4-trimethyl-quinolin-6-yl] 4-acetamidobenzenesulfonate

Systemtic Name: [1-(4-acetamidophenyl)sulfonyl-2,2,4-trimethyl-quinolin-6-yl] 4-acetamidobenzenesulfonate Openeye Name: [1-(4-acetamidophenyl)sulfonyl-2,2,4-trimethyl-6-quinolyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [1-(4-acetamidophenyl)sulfonyl-2,2,4-trimethyl-6-quinolinyl] ester IUPAC Name: [1-(4-acetamidophenyl)sulfonyl-2,2,4-trimethylquinolin-6-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [1-(4-acetamidophenyl)sulfonyl-2,2,4-trimethyl-6-quinolyl] ester Formula: C28H29N3O7S2 MolecularWeight: 583.67576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C)(C)C

InChI

InChI=1S/C28H29N3O7S2/c1-18-17-28(4,5)31(39(34,35)24-11-6-21(7-12-24)29-19(2)32)27-15-10-23(16-26(18)27)38-40(36,37)25-13-8-22(9-14-25)30-20(3)33/h6-17H,1-5H3,(H,29,32)(H,30,33)