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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(2-chloranylphenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(2-chlorophenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(2-chlorophenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(2-chlorophenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(2-chlorophenoxy)acetamide Formula: C16H19ClN4O4S2 MolecularWeight: 430.92946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3Cl

InChI

InChI=1S/C16H19ClN4O4S2/c17-12-7-3-4-8-13(12)25-11-14(22)18-15-19-20-16(26-15)27(23,24)21-9-5-1-2-6-10-21/h3-4,7-8H,1-2,5-6,9-11H2,(H,18,19,22)