3-[[1-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]piperidin-4-yl]methyl]-6-nitro-1,3-benzothiazol-2-one

Systemtic Name: 3-[[1-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]piperidin-4-yl]methyl]-6-nitro-1,3-benzothiazol-2-one Openeye Name: 3-[[1-[2-(4-fluorophenyl)-2-hydroxy-ethyl]-4-piperidyl]methyl]-6-nitro-1,3-benzothiazol-2-one CAS Name: 3-[[1-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-piperidinyl]methyl]-6-nitro-1,3-benzothiazol-2-one IUPAC Name: 3-[[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methyl]-6-nitro-1,3-benzothiazol-2-one Traditional Name: 3-[[1-[2-(4-fluorophenyl)-2-hydroxy-ethyl]-4-piperidyl]methyl]-6-nitro-1,3-benzothiazol-2-one Formula: C21H22FN3O4S MolecularWeight: 431.480483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=O)CC(C4=CC=C(C=C4)F)O

Isomeric SMILES

C1CN(CCC1CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=O)CC(C4=CC=C(C=C4)F)O

InChI

InChI=1S/C21H22FN3O4S/c22-16-3-1-15(2-4-16)19(26)13-23-9-7-14(8-10-23)12-24-18-6-5-17(25(28)29)11-20(18)30-21(24)27/h1-6,11,14,19,26H,7-10,12-13H2