N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxy-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxy-benzamide Formula: C18H24N4O6S2 MolecularWeight: 456.53636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H24N4O6S2/c1-26-13-10-12(11-14(27-2)15(13)28-3)16(23)19-17-20-21-18(29-17)30(24,25)22-8-6-4-5-7-9-22/h10-11H,4-9H2,1-3H3,(H,19,20,23)