2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazole Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S2/c26-25(27)18-9-5-16(6-10-18)15-31-21-23-22-20(30-21)17-7-11-19(12-8-17)32(28,29)24-13-3-1-2-4-14-24/h5-12H,1-4,13-15H2