2-[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(4-fluoro-3-piperidinosulfonyl-benzoyl)amino]ethyl-diisopropyl-ammonium Formula: C20H33FN3O3S+ MolecularWeight: 414.557723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCC2)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCC2)C(C)C

InChI

InChI=1S/C20H32FN3O3S/c1-15(2)24(16(3)4)13-10-22-20(25)17-8-9-18(21)19(14-17)28(26,27)23-11-6-5-7-12-23/h8-9,14-16H,5-7,10-13H2,1-4H3,(H,22,25)/p+1