N-[(2S)-1-[2-methyl-2-(4-nitrophenyl)sulfonyl-hydrazinyl]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-1-[2-methyl-2-(4-nitrophenyl)sulfonyl-hydrazinyl]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1S)-1-benzyl-2-[2-methyl-2-(4-nitrophenyl)sulfonyl-hydrazino]-2-oxo-ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[(2S)-1-[2-methyl-2-(4-nitrophenyl)sulfonylhydrazinyl]-1-oxo-3-phenylpropan-2-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-1-[2-methyl-2-(4-nitrophenyl)sulfonylhydrazinyl]-1-oxo-3-phenylpropan-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(N'-methyl-N'-nosyl-hydrazino)ethyl]-4-nitro-benzenesulfonamide Formula: C22H21N5O9S2 MolecularWeight: 563.56024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(NC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(NC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O9S2/c1-25(38(35,36)20-13-9-18(10-14-20)27(31)32)23-22(28)21(15-16-5-3-2-4-6-16)24-37(33,34)19-11-7-17(8-12-19)26(29)30/h2-14,21,24H,15H2,1H3,(H,23,28)/t21-/m0/s1