5-[2-ethenyl-4-(4-methoxyphenyl)sulfonyl-pyridin-3-yl]-1,3-benzodioxol-4-amine

Systemtic Name: 5-[2-ethenyl-4-(4-methoxyphenyl)sulfonyl-pyridin-3-yl]-1,3-benzodioxol-4-amine Openeye Name: 5-[4-(4-methoxyphenyl)sulfonyl-2-vinyl-3-pyridyl]-1,3-benzodioxol-4-amine CAS Name: 5-[2-ethenyl-4-(4-methoxyphenyl)sulfonyl-3-pyridinyl]-1,3-benzodioxol-4-amine IUPAC Name: 5-[2-ethenyl-4-(4-methoxyphenyl)sulfonylpyridin-3-yl]-1,3-benzodioxol-4-amine Traditional Name: [5-[4-(4-methoxyphenyl)sulfonyl-2-vinyl-3-pyridyl]-1,3-benzodioxol-4-yl]amine Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NC=C2)C=C)C3=C(C4=C(C=C3)OCO4)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NC=C2)C=C)C3=C(C4=C(C=C3)OCO4)N

InChI

InChI=1S/C21H18N2O5S/c1-3-16-19(15-8-9-17-21(20(15)22)28-12-27-17)18(10-11-23-16)29(24,25)14-6-4-13(26-2)5-7-14/h3-11H,1,12,22H2,2H3