2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-mesyl-1,4-diazepan-1-yl)methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Formula: C15H19N5O5S MolecularWeight: 381.40686

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O5S/c1-26(23,24)19-8-2-7-18(9-10-19)11-14-16-17-15(25-14)12-3-5-13(6-4-12)20(21)22/h3-6H,2,7-11H2,1H3