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

Systemtic Name: 2-[[4-[2-[(4-methoxyphenyl)carbamothioyl]hydrazinyl]-3-nitro-phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[4-[2-[(4-methoxyphenyl)carbamothioyl]hydrazino]-3-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[4-[[(4-methoxyanilino)-sulfanylidenemethyl]hydrazo]-3-nitrophenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[4-[2-[(4-methoxyphenyl)carbamothioyl]hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[4-[N'-[(4-methoxyphenyl)thiocarbamoyl]hydrazino]-3-nitro-phenyl]sulfonylamino]benzoic acid Formula: C21H19N5O7S2 MolecularWeight: 517.53486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O7S2/c1-33-14-8-6-13(7-9-14)22-21(34)24-23-18-11-10-15(12-19(18)26(29)30)35(31,32)25-17-5-3-2-4-16(17)20(27)28/h2-12,23,25H,1H3,(H,27,28)(H2,22,24,34)