1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-3-carboxamide

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-3-carboxamide Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)piperidine-3-carboxamide CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-3-piperidinecarboxamide IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)piperidine-3-carboxamide Traditional Name: 1-(4-mesyl-2-nitro-phenyl)nipecotamide Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-22(20,21)10-4-5-11(12(7-10)16(18)19)15-6-2-3-9(8-15)13(14)17/h4-5,7,9H,2-3,6,8H2,1H3,(H2,14,17)