N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-piperonylamide Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H22N2O5S2/c1-24(2)17-8-5-15(6-9-17)20(31(26,27)21-4-3-11-30-21)13-23-22(25)16-7-10-18-19(12-16)29-14-28-18/h3-12,20H,13-14H2,1-2H3,(H,23,25)