3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C19H26N4O3S2 MolecularWeight: 422.56474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H26N4O3S2/c1-2-18-21-22-19(27-18)20-17(24)12-9-15-7-10-16(11-8-15)28(25,26)23-13-5-3-4-6-14-23/h7-8,10-11H,2-6,9,12-14H2,1H3,(H,20,22,24)