4-[[4-[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-5-yl]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-[3-(3,4-dimethoxyphenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-[3-(3,4-dimethoxyphenyl)anthranil-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C25H21N5O5S MolecularWeight: 503.52974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NO2)C4=NC(=NC=C4)NC5=CC=C(C=C5)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NO2)C4=NC(=NC=C4)NC5=CC=C(C=C5)S(=O)(=O)N)OC

InChI

InChI=1S/C25H21N5O5S/c1-33-22-10-4-16(14-23(22)34-2)24-19-13-15(3-9-21(19)30-35-24)20-11-12-27-25(29-20)28-17-5-7-18(8-6-17)36(26,31)32/h3-14H,1-2H3,(H2,26,31,32)(H,27,28,29)