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

Systemtic Name: (4R)-8-fluoranyl-N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-thiochromen-4-amine Openeye Name: (4R)-8-fluoro-N-[2-nitro-4-(1-piperidylsulfonyl)phenyl]thiochroman-4-amine CAS Name: (4R)-8-fluoro-N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-3,4-dihydro-2H-1-benzothiopyran-4-amine IUPAC Name: (4R)-8-fluoro-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-thiochromen-4-amine Traditional Name: [(4R)-8-fluorothiochroman-4-yl]-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C20H22FN3O4S2 MolecularWeight: 451.534783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCSC4=C3C=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N[C@@H]3CCSC4=C3C=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O4S2/c21-16-6-4-5-15-17(9-12-29-20(15)16)22-18-8-7-14(13-19(18)24(25)26)30(27,28)23-10-2-1-3-11-23/h4-8,13,17,22H,1-3,9-12H2/t17-/m1/s1