7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-5-methyl-4-oxidanylidene-1-(4-sulfamoylphenyl)-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-5-methyl-4-oxidanylidene-1-(4-sulfamoylphenyl)-1,8-naphthyridine-3-carboxylic acid Openeye Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(4-sulfamoylphenyl)-1,8-naphthyridine-3-carboxylic acid CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-6-fluoro-5-methyl-4-oxo-1-(4-sulfamoylphenyl)-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(4-sulfamoylphenyl)-1,8-naphthyridine-3-carboxylic acid Traditional Name: 7-[(3S)-3-aminopyrrolidino]-6-fluoro-4-keto-5-methyl-1-(4-sulfamoylphenyl)-1,8-naphthyridine-3-carboxylic acid Formula: C20H20FN5O5S MolecularWeight: 461.466703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CCC(C3)N)C4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CC[C@@H](C3)N)C4=CC=C(C=C4)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C20H20FN5O5S/c1-10-15-17(27)14(20(28)29)9-26(12-2-4-13(5-3-12)32(23,30)31)18(15)24-19(16(10)21)25-7-6-11(22)8-25/h2-5,9,11H,6-8,22H2,1H3,(H,28,29)(H2,23,30,31)/t11-/m0/s1