(2S)-2-ethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O4S/c1-2-14-7-3-4-12-19(14)16-9-8-15(13-17(16)20(21)22)25(23,24)18-10-5-6-11-18/h8-9,13-14H,2-7,10-12H2,1H3/t14-/m0/s1