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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenoxy)acetamide Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4S2/c1-13-6-8-14(9-7-13)25-12-15(22)18-16-19-20-17(26-16)27(23,24)21-10-4-2-3-5-11-21/h6-9H,2-5,10-12H2,1H3,(H,18,19,22)