(3R)-1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3R)-1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3R)-1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-1-(2-fluorophenyl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3R)-1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-1-(2-fluorophenyl)-5-keto-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide Formula: C22H26FN4O4S+ MolecularWeight: 461.529643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CC(=O)N(C3)C4=CC=CC=C4F

InChI

InChI=1S/C22H25FN4O4S/c1-25-10-12-26(13-11-25)32(30,31)18-8-6-17(7-9-18)24-22(29)16-14-21(28)27(15-16)20-5-3-2-4-19(20)23/h2-9,16H,10-15H2,1H3,(H,24,29)/p+1/t16-/m1/s1