N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-ethyl-N-(3-fluorobenzyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O5S/c1-3-24(15-17-5-4-6-19(23)13-17)22(27)18-9-11-25(12-10-18)32(30,31)21-14-20(26(28)29)8-7-16(21)2/h4-8,13-14,18H,3,9-12,15H2,1-2H3