[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H21NO6S/c1-15-4-5-16(2)22(12-15)31(26,27)24(3)18-7-9-19(10-8-18)30-23(25)17-6-11-20-21(13-17)29-14-28-20/h4-13H,14H2,1-3H3