N-[3-(azepan-1-yl)butyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-yl)butyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-benzenesulfonamide Openeye Name: N-[3-(azepan-1-yl)butyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-benzenesulfonamide CAS Name: N-[3-(1-azepanyl)butyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide IUPAC Name: N-[3-(azepan-1-yl)butyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide Traditional Name: N-[3-(azepan-1-yl)butyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-benzenesulfonamide Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NO1)C2=CC(=C(C=C2)C)S(=O)(=O)NCCC(C)N3CCCCCC3

Isomeric SMILES

CCC1=NC(=NO1)C2=CC(=C(C=C2)C)S(=O)(=O)NCCC(C)N3CCCCCC3

InChI

InChI=1S/C21H32N4O3S/c1-4-20-23-21(24-28-20)18-10-9-16(2)19(15-18)29(26,27)22-12-11-17(3)25-13-7-5-6-8-14-25/h9-10,15,17,22H,4-8,11-14H2,1-3H3