[4-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[3-(3-bromo-4,5-dimethoxy-phenyl)prop-2-enoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[3-(3-bromo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoylamino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[3-(3-bromo-4,5-dimethoxy-phenyl)acryloyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C21H18BrN4O5S- MolecularWeight: 518.36042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3)Br)OC

InChI

InChI=1S/C21H19BrN4O5S/c1-30-18-13-14(12-17(22)20(18)31-2)4-9-19(27)25-15-5-7-16(8-6-15)32(28,29)26-21-23-10-3-11-24-21/h3-13H,1-2H3,(H2,23,24,25,26,27)/p-1