4-[[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]amino]-N-(3-oxidanylidenepropyl)benzenesulfonamide

Systemtic Name: 4-[[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]amino]-N-(3-oxidanylidenepropyl)benzenesulfonamide Openeye Name: 4-[[4-(2,3-dihydrobenzofuran-5-yl)pyrimidin-2-yl]amino]-N-(3-oxopropyl)benzenesulfonamide CAS Name: 4-[[4-(2,3-dihydrobenzofuran-5-yl)-2-pyrimidinyl]amino]-N-(3-oxopropyl)benzenesulfonamide IUPAC Name: 4-[[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]amino]-N-(3-oxopropyl)benzenesulfonamide Traditional Name: 4-[(4-coumaran-5-ylpyrimidin-2-yl)amino]-N-(3-ketopropyl)benzenesulfonamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)NCCC=O

Isomeric SMILES

C1COC2=C1C=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)NCCC=O

InChI

InChI=1S/C21H20N4O4S/c26-12-1-10-23-30(27,28)18-5-3-17(4-6-18)24-21-22-11-8-19(25-21)15-2-7-20-16(14-15)9-13-29-20/h2-8,11-12,14,23H,1,9-10,13H2,(H,22,24,25)