2-[(4-fluorophenyl)-(phenylsulfonyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[(4-fluorophenyl)-(phenylsulfonyl)amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-fluoro-anilino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(N-besyl-4-fluoro-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26FN3O3S/c22-18-9-11-19(12-10-18)25(29(27,28)20-7-2-1-3-8-20)17-21(26)23-13-6-16-24-14-4-5-15-24/h1-3,7-12H,4-6,13-17H2,(H,23,26)/p+1