1-[2-[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[4-(3-nitrophenyl)-1-phenyl-2-imidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-(3-nitrophenyl)-1-phenylimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]thio]acetyl]isonipecotic acid Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=NC(=CN2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=NC(=CN2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O5S/c28-21(25-11-9-16(10-12-25)22(29)30)15-33-23-24-20(14-26(23)18-6-2-1-3-7-18)17-5-4-8-19(13-17)27(31)32/h1-8,13-14,16H,9-12,15H2,(H,29,30)