2-[[3-(4-methylphenyl)sulfonylpropanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[3-(4-methylphenyl)sulfonylpropanoylamino]methyl]-4-nitro-phenolate Openeye Name: 4-nitro-2-[[3-(p-tolylsulfonyl)propanoylamino]methyl]phenolate CAS Name: 2-[[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[3-(4-methylphenyl)sulfonylpropanoylamino]methyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[(3-tosylpropanoylamino)methyl]phenolate Formula: C17H17N2O6S- MolecularWeight: 377.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H18N2O6S/c1-12-2-5-15(6-3-12)26(24,25)9-8-17(21)18-11-13-10-14(19(22)23)4-7-16(13)20/h2-7,10,20H,8-9,11H2,1H3,(H,18,21)/p-1