4-phenyl-1-[2-[4-sulfanyl-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-2-carboxylic acid

Systemtic Name: 4-phenyl-1-[2-[4-sulfanyl-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-2-carboxylic acid Openeye Name: 4-phenyl-1-[2-[4-sulfanyl-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-2-carboxylic acid CAS Name: 1-[2-[4-mercapto-2,3-bis(trifluoromethyl)phenyl]-1-oxoprop-2-enyl]-4-phenyl-2-piperidinecarboxylic acid IUPAC Name: 4-phenyl-1-[2-[4-sulfanyl-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-2-carboxylic acid Traditional Name: 1-[2-[4-mercapto-2,3-bis(trifluoromethyl)phenyl]acryloyl]-4-phenyl-pipecolinic acid Formula: C23H19F6NO3S MolecularWeight: 503.457279

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C(=C(C=C1)S)C(F)(F)F)C(F)(F)F)C(=O)N2CCC(CC2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C=C(C1=C(C(=C(C=C1)S)C(F)(F)F)C(F)(F)F)C(=O)N2CCC(CC2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H19F6NO3S/c1-12(15-7-8-17(34)19(23(27,28)29)18(15)22(24,25)26)20(31)30-10-9-14(11-16(30)21(32)33)13-5-3-2-4-6-13/h2-8,14,16,34H,1,9-11H2,(H,32,33)