1-[4-[2-[(diphenylmethyl)carbamothioyl]hydrazinyl]-3-nitro-phenyl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[2-[(diphenylmethyl)carbamothioyl]hydrazinyl]-3-nitro-phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[2-(benzhydrylcarbamothioyl)hydrazino]-3-nitro-phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]hydrazo]-3-nitrophenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[2-(benzhydrylcarbamothioyl)hydrazinyl]-3-nitrophenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[N'-(benzhydrylthiocarbamoyl)hydrazino]-3-nitro-phenyl]sulfonylproline Formula: C25H25N5O6S2 MolecularWeight: 555.6259

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=C(C=C2)NNC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC(=C(C=C2)NNC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H25N5O6S2/c31-24(32)21-12-7-15-29(21)38(35,36)19-13-14-20(22(16-19)30(33)34)27-28-25(37)26-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13-14,16,21,23,27H,7,12,15H2,(H,31,32)(H2,26,28,37)