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

Systemtic Name: N-[(2S)-butan-2-yl]-1-(2-chloranyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-[(1S)-1-methylpropyl]piperidine-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-[(1S)-1-methylpropyl]isonipecotamide Formula: C16H22ClN3O5S MolecularWeight: 403.88098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O5S/c1-3-11(2)18-16(21)12-6-8-19(9-7-12)26(24,25)15-10-13(20(22)23)4-5-14(15)17/h4-5,10-12H,3,6-9H2,1-2H3,(H,18,21)/t11-/m0/s1