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

Systemtic Name: 5-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonyl-phenyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonyl-phenyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[[4,5-dimethoxy-2-(1-pyrrolidinylsulfonyl)phenyl]methyl]-N-phenyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonylphenyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-(4,5-dimethoxy-2-pyrrolidinosulfonyl-benzyl)-1,3,4-thiadiazol-2-yl]-phenyl-amine Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2=NN=C(S2)NC3=CC=CC=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2=NN=C(S2)NC3=CC=CC=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C21H24N4O4S2/c1-28-17-12-15(13-20-23-24-21(30-20)22-16-8-4-3-5-9-16)19(14-18(17)29-2)31(26,27)25-10-6-7-11-25/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3,(H,22,24)