(3S,5S)-3,5-dimethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine

Systemtic Name: (3S,5S)-3,5-dimethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine Openeye Name: (3S,5S)-3,5-dimethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine CAS Name: (3S,5S)-3,5-dimethyl-1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]piperidine IUPAC Name: (3S,5S)-3,5-dimethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperidine Traditional Name: (3S,5S)-3,5-dimethyl-1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperidine Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C17H25N3O4S/c1-13-9-14(2)12-18(11-13)16-6-5-15(10-17(16)20(21)22)25(23,24)19-7-3-4-8-19/h5-6,10,13-14H,3-4,7-9,11-12H2,1-2H3/t13-,14-/m0/s1