(1S)-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

Systemtic Name: (1S)-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol Openeye Name: (1S)-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)tetralin-1-ol CAS Name: (1S)-5-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol IUPAC Name: (1S)-5-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol Traditional Name: (1S)-5-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)tetralin-1-ol Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC4=C3CCCC4O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC4=C3CCC[C@@H]4O)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c23-18-7-3-6-16-15(18)5-4-8-19(16)28-20-10-9-14(13-17(20)22(24)25)29(26,27)21-11-1-2-12-21/h4-5,8-10,13,18,23H,1-3,6-7,11-12H2/t18-/m0/s1