(4R)-8-fluoranyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-thiochromen-4-amine

Systemtic Name: (4R)-8-fluoranyl-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-thiochromen-4-amine Openeye Name: (4R)-8-fluoro-N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)thiochroman-4-amine CAS Name: (4R)-8-fluoro-N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-3,4-dihydro-2H-1-benzothiopyran-4-amine IUPAC Name: (4R)-8-fluoro-N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-thiochromen-4-amine Traditional Name: [(4R)-8-fluorothiochroman-4-yl]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C19H20FN3O4S2 MolecularWeight: 437.508203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCSC4=C3C=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N[C@@H]3CCSC4=C3C=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O4S2/c20-15-5-3-4-14-16(8-11-28-19(14)15)21-17-7-6-13(12-18(17)23(24)25)29(26,27)22-9-1-2-10-22/h3-7,12,16,21H,1-2,8-11H2/t16-/m1/s1