5-[(4,5-dimethoxy-2-piperidin-1-ylsulfonyl-phenyl)methyl]-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(4,5-dimethoxy-2-piperidin-1-ylsulfonyl-phenyl)methyl]-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[[4,5-dimethoxy-2-(1-piperidylsulfonyl)phenyl]methyl]-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[[4,5-dimethoxy-2-(1-piperidinylsulfonyl)phenyl]methyl]-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4,5-dimethoxy-2-piperidin-1-ylsulfonylphenyl)methyl]-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(4,5-dimethoxy-2-piperidinosulfonyl-benzyl)-1,3,4-thiadiazol-2-yl]-(4-nitrophenyl)amine Formula: C22H25N5O6S2 MolecularWeight: 519.5938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2=NN=C(S2)NC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2=NN=C(S2)NC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4)OC

InChI

InChI=1S/C22H25N5O6S2/c1-32-18-12-15(20(14-19(18)33-2)35(30,31)26-10-4-3-5-11-26)13-21-24-25-22(34-21)23-16-6-8-17(9-7-16)27(28)29/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,23,25)