3-(azepan-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H22N4O3S2/c1-2-15-19-20-17(25-15)18-16(22)13-8-7-9-14(12-13)26(23,24)21-10-5-3-4-6-11-21/h7-9,12H,2-6,10-11H2,1H3,(H,18,20,22)