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

Systemtic Name: N-ethylsulfonyl-1-[2-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-3-carboxamide Openeye Name: N-ethylsulfonyl-1-[2-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-3-carboxamide CAS Name: N-ethylsulfonyl-1-[1-oxo-2-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-piperidinecarboxamide IUPAC Name: N-ethylsulfonyl-1-[2-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-3-carboxamide Traditional Name: N-esyl-1-[2-[3-(trifluoromethyl)phenyl]acryloyl]nipecotamide Formula: C18H21F3N2O4S MolecularWeight: 418.43055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21F3N2O4S/c1-3-28(26,27)22-16(24)14-7-5-9-23(11-14)17(25)12(2)13-6-4-8-15(10-13)18(19,20)21/h4,6,8,10,14H,2-3,5,7,9,11H2,1H3,(H,22,24)