2-[[4-[2-(2-methoxyethylcarbamothioyl)hydrazinyl]-3-nitro-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[4-[2-(2-methoxyethylcarbamothioyl)hydrazinyl]-3-nitro-phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[4-[2-(2-methoxyethylcarbamothioyl)hydrazino]-3-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[4-[[(2-methoxyethylamino)-sulfanylidenemethyl]hydrazo]-3-nitrophenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[4-[2-(2-methoxyethylcarbamothioyl)hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[4-[N'-(2-methoxyethylthiocarbamoyl)hydrazino]-3-nitro-phenyl]sulfonylamino]benzoic acid Formula: C17H19N5O7S2 MolecularWeight: 469.49206

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COCCNC(=S)NNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O7S2/c1-29-9-8-18-17(30)20-19-14-7-6-11(10-15(14)22(25)26)31(27,28)21-13-5-3-2-4-12(13)16(23)24/h2-7,10,19,21H,8-9H2,1H3,(H,23,24)(H2,18,20,30)