2-[[5-nitro-2-[2-(phenethylcarbamothioyl)hydrazinyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[5-nitro-2-[2-(phenethylcarbamothioyl)hydrazinyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[5-nitro-2-[2-(phenethylcarbamothioyl)hydrazino]phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[5-nitro-2-[[(phenethylamino)-sulfanylidenemethyl]hydrazo]phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[5-nitro-2-[2-(phenethylcarbamothioyl)hydrazinyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[5-nitro-2-[N'-(phenethylthiocarbamoyl)hydrazino]phenyl]sulfonylamino]benzoic acid Formula: C22H21N5O6S2 MolecularWeight: 515.56204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O6S2/c28-21(29)17-8-4-5-9-18(17)26-35(32,33)20-14-16(27(30)31)10-11-19(20)24-25-22(34)23-13-12-15-6-2-1-3-7-15/h1-11,14,24,26H,12-13H2,(H,28,29)(H2,23,25,34)