2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-5-(2-chlorophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-5-(2-chlorophenyl)-1,3,4-oxadiazole Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-5-(2-chlorophenyl)-1,3,4-oxadiazole CAS Name: 2-[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]-5-(2-chlorophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanyl-5-(2-chlorophenyl)-1,3,4-oxadiazole Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]-5-(2-chlorophenyl)-1,3,4-oxadiazole Formula: C20H19ClN4O5S2 MolecularWeight: 494.97166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O5S2/c21-16-8-4-3-7-15(16)19-22-23-20(30-19)31-18-10-9-14(13-17(18)25(26)27)32(28,29)24-11-5-1-2-6-12-24/h3-4,7-10,13H,1-2,5-6,11-12H2