2-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]methyl]-4-nitro-phenolate Formula: C16H15FN3O6S- MolecularWeight: 396.370203

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(CC(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H16FN3O6S/c1-19(27(25,26)14-5-2-12(17)3-6-14)10-16(22)18-9-11-8-13(20(23)24)4-7-15(11)21/h2-8,21H,9-10H2,1H3,(H,18,22)/p-1