[4-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[(6-acetyl-1,3-benzodioxol-5-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl] ester Formula: C24H21NO7S MolecularWeight: 467.49104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

InChI

InChI=1S/C24H21NO7S/c1-14-4-5-15(2)23(10-14)33(28,29)32-18-8-6-17(7-9-18)24(27)25-20-12-22-21(30-13-31-22)11-19(20)16(3)26/h4-12H,13H2,1-3H3,(H,25,27)