N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-nitrophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-nitrophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-nitrophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-nitrophenyl)sulfonyl-isonipecotamide Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NOC(=N2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NOC(=N2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O6S/c1-15-5-4-6-17(13-15)21-24-20(33-25-21)14-23-22(28)16-9-11-26(12-10-16)34(31,32)19-8-3-2-7-18(19)27(29)30/h2-8,13,16H,9-12,14H2,1H3,(H,23,28)