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

Systemtic Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[3-(1-azepanylsulfonyl)phenyl]-5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)phenyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-[3-(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=CC(=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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