N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(trifluoromethyl)cyclohexanecarboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(trifluoromethyl)-1-cyclohexanecarboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-(trifluoromethyl)cyclohexanecarboxamide Formula: C20H27F3N2O4S MolecularWeight: 448.49959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2CCCC(C2)C(F)(F)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2CCCC(C2)C(F)(F)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H27F3N2O4S/c1-2-29-17-9-8-16(13-18(17)30(27,28)25-10-3-4-11-25)24-19(26)14-6-5-7-15(12-14)20(21,22)23/h8-9,13-15H,2-7,10-12H2,1H3,(H,24,26)