N-(4-tert-butylphenyl)-1-(3-nitrophenyl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-1-(3-nitrophenyl)sulfonyl-piperidine-2-carboxamide Openeye Name: N-(4-tert-butylphenyl)-1-(3-nitrophenyl)sulfonyl-piperidine-2-carboxamide CAS Name: N-(4-tert-butylphenyl)-1-(3-nitrophenyl)sulfonyl-2-piperidinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-1-(3-nitrophenyl)sulfonylpiperidine-2-carboxamide Traditional Name: N-(4-tert-butylphenyl)-1-(3-nitrophenyl)sulfonyl-pipecolinamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5S/c1-22(2,3)16-10-12-17(13-11-16)23-21(26)20-9-4-5-14-24(20)31(29,30)19-8-6-7-18(15-19)25(27)28/h6-8,10-13,15,20H,4-5,9,14H2,1-3H3,(H,23,26)