(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol

Systemtic Name: (2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol Openeye Name: (2S)-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol CAS Name: (2S)-1-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-2-propanol IUPAC Name: (2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-2-ol Traditional Name: (2S)-1-[(3S,5S)-3,5-dimethylpiperidino]-3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propan-2-ol Formula: C20H31N3O6S MolecularWeight: 441.54164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC(COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C[C@@H](COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O)C

InChI

InChI=1S/C20H31N3O6S/c1-15-9-16(2)12-21(11-15)13-17(24)14-29-20-6-5-18(10-19(20)23(25)26)30(27,28)22-7-3-4-8-22/h5-6,10,15-17,24H,3-4,7-9,11-14H2,1-2H3/t15-,16-,17-/m0/s1