2-[2,4-bis(oxidanylidene)-3-(5-phenylpentan-2-ylsulfonyl)-1,8-naphthyridin-1-yl]ethanoic acid

Systemtic Name: 2-[2,4-bis(oxidanylidene)-3-(5-phenylpentan-2-ylsulfonyl)-1,8-naphthyridin-1-yl]ethanoic acid Openeye Name: 2-[3-(1-methyl-4-phenyl-butyl)sulfonyl-2,4-dioxo-1,8-naphthyridin-1-yl]acetic acid CAS Name: 2-[2,4-dioxo-3-(5-phenylpentan-2-ylsulfonyl)-1,8-naphthyridin-1-yl]acetic acid IUPAC Name: 2-[2,4-dioxo-3-(5-phenylpentan-2-ylsulfonyl)-1,8-naphthyridin-1-yl]acetic acid Traditional Name: 2-[2,4-diketo-3-(1-methyl-4-phenyl-butyl)sulfonyl-1,8-naphthyridin-1-yl]acetic acid Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)S(=O)(=O)C2C(=O)C3=C(N=CC=C3)N(C2=O)CC(=O)O

Isomeric SMILES

CC(CCCC1=CC=CC=C1)S(=O)(=O)C2C(=O)C3=C(N=CC=C3)N(C2=O)CC(=O)O

InChI

InChI=1S/C21H22N2O6S/c1-14(7-5-10-15-8-3-2-4-9-15)30(28,29)19-18(26)16-11-6-12-22-20(16)23(21(19)27)13-17(24)25/h2-4,6,8-9,11-12,14,19H,5,7,10,13H2,1H3,(H,24,25)