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

Systemtic Name: 1-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-3-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-3-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-3-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]nipecotic acid Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCCC(C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCCC(C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H26N2O5S/c1-16(2)19-7-3-4-8-21(19)32-22-11-9-17(14-20(22)26(30)31)10-12-23(27)25-13-5-6-18(15-25)24(28)29/h3-4,7-12,14,16,18H,5-6,13,15H2,1-2H3,(H,28,29)/b12-10+