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

Systemtic Name: N-cyclooctyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-cyclooctyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-cyclooctyl-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-cyclooctyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-cyclooctyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCCC3

InChI

InChI=1S/C21H31N3O5S/c1-16-9-10-19(24(26)27)15-20(16)30(28,29)23-13-11-17(12-14-23)21(25)22-18-7-5-3-2-4-6-8-18/h9-10,15,17-18H,2-8,11-14H2,1H3,(H,22,25)