[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C23H23NO7S2 MolecularWeight: 489.56122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C23H23NO7S2/c1-16-4-9-20(14-17(16)2)32(25,26)24(3)18-5-7-19(8-6-18)31-33(27,28)21-10-11-22-23(15-21)30-13-12-29-22/h4-11,14-15H,12-13H2,1-3H3