1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]-4-oxidanyl-piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]-4-oxidanyl-piperidine-3-carboxylic acid Openeye Name: 4-hydroxy-1-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 4-hydroxy-1-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 4-hydroxy-1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 4-hydroxy-1-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]nipecotic acid Formula: C24H26N2O6S MolecularWeight: 470.53804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCC(C(C3)C(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCC(C(C3)C(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H26N2O6S/c1-14(2)17-6-4-5-7-21(17)33-22-9-8-16(12-19(22)26(31)32)15(3)23(28)25-11-10-20(27)18(13-25)24(29)30/h4-9,12,14,18,20,27H,3,10-11,13H2,1-2H3,(H,29,30)