(2R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2R)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C23H30FN4O3S+ MolecularWeight: 461.572703

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H29FN4O3S/c1-2-26-14-16-27(17-15-26)20-9-7-19(8-10-20)25-23(29)22-4-3-13-28(22)32(30,31)21-11-5-18(24)6-12-21/h5-12,22H,2-4,13-17H2,1H3,(H,25,29)/p+1/t22-/m1/s1