N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(5-o-anisyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidinosulfonyl-benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O4S2/c1-29-18-10-3-2-7-15(18)14-19-23-24-21(30-19)22-20(26)16-8-6-9-17(13-16)31(27,28)25-11-4-5-12-25/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,22,24,26)