1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-[(1S)-2-methoxy-1-methyl-ethyl]piperidine-4-carboxamide CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-[(1S)-2-methoxy-1-methyl-ethyl]isonipecotamide Formula: C16H22ClN3O6S MolecularWeight: 419.88038

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@@H](COC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H22ClN3O6S/c1-11(10-26-2)18-16(21)12-5-7-19(8-6-12)27(24,25)15-9-13(20(22)23)3-4-14(15)17/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,21)/t11-/m0/s1