2-[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]naphthalen-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]naphthalen-2-yl]sulfanylethanoate Openeye Name: 2-[[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-2-naphthyl]sulfanyl]acetate CAS Name: 2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]-2-naphthalenyl]thio]acetate IUPAC Name: 2-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetate Traditional Name: 2-[[4-[(4-methyl-3-nitro-phenyl)sulfonylamino]-2-naphthyl]thio]acetate Formula: C19H15N2O6S2- MolecularWeight: 431.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC3=CC=CC=C32)SCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC3=CC=CC=C32)SCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6S2/c1-12-6-7-15(10-18(12)21(24)25)29(26,27)20-17-9-14(28-11-19(22)23)8-13-4-2-3-5-16(13)17/h2-10,20H,11H2,1H3,(H,22,23)/p-1