N-methyl-N-[(3-nitrophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[(3-nitrophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-methyl-N-(3-nitrobenzyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C21H22F3N3O5S MolecularWeight: 485.47669

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O5S/c1-25(14-15-4-2-6-18(12-15)27(29)30)20(28)16-8-10-26(11-9-16)33(31,32)19-7-3-5-17(13-19)21(22,23)24/h2-7,12-13,16H,8-11,14H2,1H3