N-(2-chloranyl-5-nitro-phenyl)-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(2-chloro-5-nitrophenyl)-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-1-mesyl-isonipecotamide Formula: C13H16ClN3O5S MolecularWeight: 361.80124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O5S/c1-23(21,22)16-6-4-9(5-7-16)13(18)15-12-8-10(17(19)20)2-3-11(12)14/h2-3,8-9H,4-7H2,1H3,(H,15,18)