[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(2-methyl-5-nitro-phenyl)azanium

Systemtic Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(2-methyl-5-nitro-phenyl)azanium Openeye Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-(2-methyl-5-nitro-phenyl)ammonium CAS Name: [2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(2-methyl-5-nitrophenyl)ammonium IUPAC Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-(2-methyl-5-nitrophenyl)azanium Traditional Name: [2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]-(2-methyl-5-nitro-phenyl)ammonium Formula: C19H22FN4O5S+ MolecularWeight: 437.465183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H21FN4O5S/c1-14-5-6-16(24(26)27)12-18(14)21-13-19(25)22-7-9-23(10-8-22)30(28,29)17-4-2-3-15(20)11-17/h2-6,11-12,21H,7-10,13H2,1H3/p+1