3-[[2-[1-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[2-[1-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[2-[1-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methyl]-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[2-[1-[(2-hydroxy-3-methoxy-5-nitrophenyl)methyl]-4-piperidinyl]-1-imidazolyl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[2-[1-[(2-hydroxy-3-methoxy-5-nitrophenyl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[2-[1-(2-hydroxy-3-methoxy-5-nitro-benzyl)-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Formula: C24H25N5O5S MolecularWeight: 495.5508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])CN2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])CN2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O)O

InChI

InChI=1S/C24H25N5O5S/c1-34-20-13-18(29(32)33)12-17(22(20)30)14-26-9-6-16(7-10-26)23-25-8-11-27(23)15-28-19-4-2-3-5-21(19)35-24(28)31/h2-5,8,11-13,16,30H,6-7,9-10,14-15H2,1H3