N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C21H20F6N2O4S MolecularWeight: 510.449919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H20F6N2O4S/c1-33-17-2-4-18(5-3-17)34(31,32)29-8-6-13(7-9-29)19(30)28-16-11-14(20(22,23)24)10-15(12-16)21(25,26)27/h2-5,10-13H,6-9H2,1H3,(H,28,30)