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

Systemtic Name: 5-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonyl-phenyl)methyl]-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonyl-phenyl)methyl]-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[[4,5-dimethoxy-2-(1-pyrrolidinylsulfonyl)phenyl]methyl]-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonylphenyl)methyl]-N-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(4,5-dimethoxy-2-pyrrolidinosulfonyl-benzyl)-1,3,4-thiadiazol-2-yl]-(4-nitrophenyl)amine Formula: C21H23N5O6S2 MolecularWeight: 505.56722

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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)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2=NN=C(S2)NC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C21H23N5O6S2/c1-31-17-11-14(19(13-18(17)32-2)34(29,30)25-9-3-4-10-25)12-20-23-24-21(33-20)22-15-5-7-16(8-6-15)26(27)28/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,22,24)