2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-5-nitro-benzonitrile Formula: C17H19N5O5S MolecularWeight: 405.42826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H19N5O5S/c1-12-17(13(2)27-19-12)28(25,26)21-7-3-6-20(8-9-21)16-5-4-15(22(23)24)10-14(16)11-18/h4-5,10H,3,6-9H2,1-2H3