N-(2,6-dimethyl-3-nitro-phenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2,6-dimethyl-3-nitro-phenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2,6-dimethyl-3-nitro-phenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2,6-dimethyl-3-nitrophenyl)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2,6-dimethyl-3-nitrophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,6-dimethyl-3-nitro-phenyl)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C20H22FN3O5S MolecularWeight: 435.469183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O5S/c1-13-3-8-18(24(26)27)14(2)19(13)22-20(25)15-9-11-23(12-10-15)30(28,29)17-6-4-16(21)5-7-17/h3-8,15H,9-12H2,1-2H3,(H,22,25)