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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(=O)C1CCCN(C1)C(=O)C(=C)C2=CC(=C(C=C2)S)C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)NC(=O)C1CCCN(C1)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)13-5-4-8-23(10-13)17(25)11(2)12-6-7-15(28)14(9-12)18(19,20)21/h6-7,9,13,28H,2-5,8,10H2,1H3,(H,22,24)