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

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-1,3-benzodioxole-5-sulfonamide Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6S2/c1-15-5-6-18(10-16(15)2)31(25,26)22(17-4-3-9-23-12-17)13-24-32(27,28)19-7-8-20-21(11-19)30-14-29-20/h3-12,22,24H,13-14H2,1-2H3