(5-bromanyl-7-ethanoyl-1,6-naphthyridin-8-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-bromanyl-7-ethanoyl-1,6-naphthyridin-8-yl) 4-methylbenzenesulfonate Openeye Name: (7-acetyl-5-bromo-1,6-naphthyridin-8-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (7-acetyl-5-bromo-1,6-naphthyridin-8-yl) ester IUPAC Name: (7-acetyl-5-bromo-1,6-naphthyridin-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-acetyl-5-bromo-1,6-naphthyridin-8-yl) ester Formula: C17H13BrN2O4S MolecularWeight: 421.26512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N=C(C3=C2N=CC=C3)Br)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N=C(C3=C2N=CC=C3)Br)C(=O)C

InChI

InChI=1S/C17H13BrN2O4S/c1-10-5-7-12(8-6-10)25(22,23)24-16-14(11(2)21)20-17(18)13-4-3-9-19-15(13)16/h3-9H,1-2H3