tert-butyl (2S)-1-[4-[2-[(diphenylmethyl)carbamothioyl]hydrazinyl]-3-nitro-phenyl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[4-[2-[(diphenylmethyl)carbamothioyl]hydrazinyl]-3-nitro-phenyl]sulfonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[4-[2-(benzhydrylcarbamothioyl)hydrazino]-3-nitro-phenyl]sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-[4-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]hydrazo]-3-nitrophenyl]sulfonyl-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[4-[2-(benzhydrylcarbamothioyl)hydrazinyl]-3-nitrophenyl]sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-[N'-(benzhydrylthiocarbamoyl)hydrazino]-3-nitro-phenyl]sulfonylpyrrolidine-2-carboxylic acid tert-butyl ester Formula: C29H33N5O6S2 MolecularWeight: 611.73222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1S(=O)(=O)C2=CC(=C(C=C2)NNC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC(=C(C=C2)NNC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H33N5O6S2/c1-29(2,3)40-27(35)24-15-10-18-33(24)42(38,39)22-16-17-23(25(19-22)34(36)37)31-32-28(41)30-26(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,16-17,19,24,26,31H,10,15,18H2,1-3H3,(H2,30,32,41)/t24-/m0/s1