2-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]ethyl-diisopropyl-ammonium Formula: C17H29FN3O3S+ MolecularWeight: 374.493863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28FN3O3S/c1-13(2)21(14(3)4)11-10-19-17(22)12-20(5)25(23,24)16-8-6-15(18)7-9-16/h6-9,13-14H,10-12H2,1-5H3,(H,19,22)/p+1