3-(azepan-1-ylsulfonyl)-N-[2-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide Openeye Name: N-[2-(5-allylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(azepan-1-ylsulfonyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-[5-(prop-2-enylthio)-1,3,4-oxadiazol-2-yl]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide Traditional Name: N-[2-[5-(allylthio)-1,3,4-oxadiazol-2-yl]phenyl]-3-(azepan-1-ylsulfonyl)benzamide Formula: C24H26N4O4S2 MolecularWeight: 498.61764

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(O1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C=CCSC1=NN=C(O1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H26N4O4S2/c1-2-16-33-24-27-26-23(32-24)20-12-5-6-13-21(20)25-22(29)18-10-9-11-19(17-18)34(30,31)28-14-7-3-4-8-15-28/h2,5-6,9-13,17H,1,3-4,7-8,14-16H2,(H,25,29)