(3S)-N-(2-chloranyl-5-nitro-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-chloranyl-5-nitro-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2-chloro-5-nitro-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2-chloro-5-nitrophenyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-chloro-5-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2-chloro-5-nitro-phenyl)-1-mesyl-nipecotamide Formula: C13H16ClN3O5S MolecularWeight: 361.80124

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O5S/c1-23(21,22)16-6-2-3-9(8-16)13(18)15-12-7-10(17(19)20)4-5-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,18)/t9-/m0/s1