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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethylphenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethylphenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethylphenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethylphenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethylphenoxy)acetamide Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C18H24N4O4S2/c1-13-7-8-15(11-14(13)2)26-12-16(23)19-17-20-21-18(27-17)28(24,25)22-9-5-3-4-6-10-22/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,20,23)