N-(2-ethylhexyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-ethylhexyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-ethylhexyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-ethylhexyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-ethylhexyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-ethylhexyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCC(CC)CNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H33N3O5S/c1-4-6-7-17(5-2)15-22-21(25)18-10-12-23(13-11-18)30(28,29)20-14-19(24(26)27)9-8-16(20)3/h8-9,14,17-18H,4-7,10-13,15H2,1-3H3,(H,22,25)