6-[2-ethenyl-4-(4-methoxyphenyl)sulfonyl-pyridin-3-yl]-1,3-benzodioxol-5-amine

Systemtic Name: 6-[2-ethenyl-4-(4-methoxyphenyl)sulfonyl-pyridin-3-yl]-1,3-benzodioxol-5-amine Openeye Name: 6-[4-(4-methoxyphenyl)sulfonyl-2-vinyl-3-pyridyl]-1,3-benzodioxol-5-amine CAS Name: 6-[2-ethenyl-4-(4-methoxyphenyl)sulfonyl-3-pyridinyl]-1,3-benzodioxol-5-amine IUPAC Name: 6-[2-ethenyl-4-(4-methoxyphenyl)sulfonylpyridin-3-yl]-1,3-benzodioxol-5-amine Traditional Name: [6-[4-(4-methoxyphenyl)sulfonyl-2-vinyl-3-pyridyl]-1,3-benzodioxol-5-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=CC4=C(C=C3N)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NC=C2)C=C)C3=CC4=C(C=C3N)OCO4

InChI

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