(3S)-1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidin-3-ol

Systemtic Name: (3S)-1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidin-3-ol Openeye Name: (3S)-1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperidin-3-ol CAS Name: (3S)-1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-3-piperidinol IUPAC Name: (3S)-1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-3-ol Traditional Name: (3S)-1-(2-nitro-4-piperidinosulfonyl-phenyl)piperidin-3-ol Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC[C@@H](C3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O5S/c20-13-5-4-8-17(12-13)15-7-6-14(11-16(15)19(21)22)25(23,24)18-9-2-1-3-10-18/h6-7,11,13,20H,1-5,8-10,12H2/t13-/m0/s1