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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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