4-methoxy-N-[5-[(E)-2-pyridin-4-ylethenyl]-1,3-benzodioxol-4-yl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[5-[(E)-2-pyridin-4-ylethenyl]-1,3-benzodioxol-4-yl]benzenesulfonamide Openeye Name: 4-methoxy-N-[5-[(E)-2-(4-pyridyl)vinyl]-1,3-benzodioxol-4-yl]benzenesulfonamide CAS Name: 4-methoxy-N-[5-[(E)-2-pyridin-4-ylethenyl]-1,3-benzodioxol-4-yl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[5-[(E)-2-pyridin-4-ylethenyl]-1,3-benzodioxol-4-yl]benzenesulfonamide Traditional Name: 4-methoxy-N-[5-[(E)-2-(4-pyridyl)vinyl]-1,3-benzodioxol-4-yl]benzenesulfonamide Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC3=C2OCO3)C=CC4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC3=C2OCO3)/C=C/C4=CC=NC=C4

InChI

InChI=1S/C21H18N2O5S/c1-26-17-5-7-18(8-6-17)29(24,25)23-20-16(3-2-15-10-12-22-13-11-15)4-9-19-21(20)28-14-27-19/h2-13,23H,14H2,1H3/b3-2+