1-[4-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-3-nitro-phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-3-nitro-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-nitro-4-[(2Z)-2-tetralin-1-ylidenehydrazino]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-3-nitrophenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-3-nitrophenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[3-nitro-4-[(N'Z)-N'-tetralin-1-ylidenehydrazino]phenyl]sulfonylisonipecotic acid Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C(=NNC3=C(C=C(C=C3)S(=O)(=O)N4CCC(CC4)C(=O)O)[N+](=O)[O-])C1

Isomeric SMILES

C1CC2=CC=CC=C2/C(=N\NC3=C(C=C(C=C3)S(=O)(=O)N4CCC(CC4)C(=O)O)[N+](=O)[O-])/C1

InChI

InChI=1S/C22H24N4O6S/c27-22(28)16-10-12-25(13-11-16)33(31,32)17-8-9-20(21(14-17)26(29)30)24-23-19-7-3-5-15-4-1-2-6-18(15)19/h1-2,4,6,8-9,14,16,24H,3,5,7,10-13H2,(H,27,28)/b23-19-