[4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] ester Formula: C22H19NO6S MolecularWeight: 425.45436

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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=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H19NO6S/c1-14-3-4-15(2)21(11-14)30(25,26)29-18-8-5-16(6-9-18)22(24)23-17-7-10-19-20(12-17)28-13-27-19/h3-12H,13H2,1-2H3,(H,23,24)