(3S,5S)-1-[4-(azetidin-1-yl)-3-nitro-phenyl]sulfonyl-3,5-dimethyl-piperidine

Systemtic Name: (3S,5S)-1-[4-(azetidin-1-yl)-3-nitro-phenyl]sulfonyl-3,5-dimethyl-piperidine Openeye Name: (3S,5S)-1-[4-(azetidin-1-yl)-3-nitro-phenyl]sulfonyl-3,5-dimethyl-piperidine CAS Name: (3S,5S)-1-[4-(1-azetidinyl)-3-nitrophenyl]sulfonyl-3,5-dimethylpiperidine IUPAC Name: (3S,5S)-1-[4-(azetidin-1-yl)-3-nitrophenyl]sulfonyl-3,5-dimethylpiperidine Traditional Name: (3S,5S)-1-[4-(azetidin-1-yl)-3-nitro-phenyl]sulfonyl-3,5-dimethyl-piperidine Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC3)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC3)[N+](=O)[O-])C

InChI

InChI=1S/C16H23N3O4S/c1-12-8-13(2)11-18(10-12)24(22,23)14-4-5-15(17-6-3-7-17)16(9-14)19(20)21/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3/t12-,13-/m0/s1