3-azanyl-4-(2-cyano-4-fluoranyl-pyrrolidin-1-yl)-2-methyl-4-oxidanylidene-butane-2-sulfonic acid

Systemtic Name: 3-azanyl-4-(2-cyano-4-fluoranyl-pyrrolidin-1-yl)-2-methyl-4-oxidanylidene-butane-2-sulfonic acid Openeye Name: 3-amino-4-(2-cyano-4-fluoro-pyrrolidin-1-yl)-2-methyl-4-oxo-butane-2-sulfonic acid CAS Name: 3-amino-4-(2-cyano-4-fluoro-1-pyrrolidinyl)-2-methyl-4-oxo-2-butanesulfonic acid IUPAC Name: 3-amino-4-(2-cyano-4-fluoropyrrolidin-1-yl)-2-methyl-4-oxobutane-2-sulfonic acid Traditional Name: 3-amino-4-(2-cyano-4-fluoro-pyrrolidino)-4-keto-2-methyl-butane-2-sulfonic acid Formula: C10H16FN3O4S MolecularWeight: 293.315143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)S(=O)(=O)O

Isomeric SMILES

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)S(=O)(=O)O

InChI

InChI=1S/C10H16FN3O4S/c1-10(2,19(16,17)18)8(13)9(15)14-5-6(11)3-7(14)4-12/h6-8H,3,5,13H2,1-2H3,(H,16,17,18)