1-(3-methylsulfonylphenyl)-3-[3-(1-oxidanidylpyridin-1-ium-4-yl)propyl]-1,8-naphthyridin-2-one

Systemtic Name: 1-(3-methylsulfonylphenyl)-3-[3-(1-oxidanidylpyridin-1-ium-4-yl)propyl]-1,8-naphthyridin-2-one Openeye Name: 1-(3-methylsulfonylphenyl)-3-[3-(1-oxidopyridin-1-ium-4-yl)propyl]-1,8-naphthyridin-2-one CAS Name: 1-(3-methylsulfonylphenyl)-3-[3-(1-oxido-4-pyridin-1-iumyl)propyl]-1,8-naphthyridin-2-one IUPAC Name: 1-(3-methylsulfonylphenyl)-3-[3-(1-oxidopyridin-1-ium-4-yl)propyl]-1,8-naphthyridin-2-one Traditional Name: 1-(3-mesylphenyl)-3-[3-(1-oxidopyridin-1-ium-4-yl)propyl]-1,8-naphthyridin-2-one Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)N2C3=C(C=CC=N3)C=C(C2=O)CCCC4=CC=[N+](C=C4)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)N2C3=C(C=CC=N3)C=C(C2=O)CCCC4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C23H21N3O4S/c1-31(29,30)21-9-3-8-20(16-21)26-22-18(7-4-12-24-22)15-19(23(26)27)6-2-5-17-10-13-25(28)14-11-17/h3-4,7-16H,2,5-6H2,1H3