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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide Formula: C17H22N4O5S2 MolecularWeight: 426.51038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C17H22N4O5S2/c1-25-13-8-7-12(11-14(13)26-2)15(22)18-16-19-20-17(27-16)28(23,24)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,19,22)