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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C17H21ClN4O3S2 MolecularWeight: 428.95664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O3S2/c1-2-15-20-21-17(26-15)19-16(23)12-7-8-13(18)14(11-12)27(24,25)22-9-5-3-4-6-10-22/h7-8,11H,2-6,9-10H2,1H3,(H,19,21,23)