7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-3-(2-methylsulfonylethanoyl)quinolin-4-one hydrochloride

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-3-(2-methylsulfonylethanoyl)quinolin-4-one hydrochloride Openeye Name: 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-3-(2-methylsulfonylacetyl)quinolin-4-one hydrochloride CAS Name: 7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-3-(2-methylsulfonyl-1-oxoethyl)-4-quinolinone hydrochloride IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-3-(2-methylsulfonylacetyl)quinolin-4-one hydrochloride Traditional Name: 7-(3-aminopyrrolidino)-8-chloro-1-cyclopropyl-6-fluoro-3-(2-mesylacetyl)-4-quinolone hydrochloride Formula: C19H22Cl2FN3O4S MolecularWeight: 478.365083

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCC(C3)N)Cl)C4CC4.Cl

Isomeric SMILES

CS(=O)(=O)CC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCC(C3)N)Cl)C4CC4.Cl

InChI

InChI=1S/C19H21ClFN3O4S.ClH/c1-29(27,28)9-15(25)13-8-24(11-2-3-11)17-12(19(13)26)6-14(21)18(16(17)20)23-5-4-10(22)7-23;/h6,8,10-11H,2-5,7,9,22H2,1H3;1H