N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-piperonylamide Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4)C

InChI

InChI=1S/C23H22N2O5S/c1-15-5-7-19(10-16(15)2)31(27,28)22(18-4-3-9-24-12-18)13-25-23(26)17-6-8-20-21(11-17)30-14-29-20/h3-12,22H,13-14H2,1-2H3,(H,25,26)