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

Systemtic Name: N-(4-chlorophenyl)-5-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonyl-phenyl)methyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(4-chlorophenyl)-5-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonyl-phenyl)methyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(4-chlorophenyl)-5-[[4,5-dimethoxy-2-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(4-chlorophenyl)-5-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine Traditional Name: (4-chlorophenyl)-[5-(4,5-dimethoxy-2-pyrrolidinosulfonyl-benzyl)-1,3,4-thiadiazol-2-yl]amine Formula: C21H23ClN4O4S2 MolecularWeight: 495.01472

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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)Cl)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4S2/c1-29-17-11-14(19(13-18(17)30-2)32(27,28)26-9-3-4-10-26)12-20-24-25-21(31-20)23-16-7-5-15(22)6-8-16/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,23,25)