N-ethylsulfonyl-1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-ethylsulfonyl-1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-ethylsulfonyl-1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxamide CAS Name: N-ethylsulfonyl-1-[2-[4-mercapto-3-(trifluoromethyl)phenyl]-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-ethylsulfonyl-1-[2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-esyl-1-[2-[4-mercapto-3-(trifluoromethyl)phenyl]acryloyl]isonipecotamide Formula: C18H21F3N2O4S2 MolecularWeight: 450.49555

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(=O)C1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)NC(=O)C1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)C(F)(F)F

InChI

InChI=1S/C18H21F3N2O4S2/c1-3-29(26,27)22-16(24)12-6-8-23(9-7-12)17(25)11(2)13-4-5-15(28)14(10-13)18(19,20)21/h4-5,10,12,28H,2-3,6-9H2,1H3,(H,22,24)