2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-5-nitro-pyridine-3-carbonitrile Openeye Name: 2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]-5-nitro-pyridine-3-carbonitrile CAS Name: 2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-5-nitropyridine-3-carbonitrile Traditional Name: 2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]-5-nitro-nicotinonitrile Formula: C15H16N6O5S MolecularWeight: 392.38974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O5S/c1-10-14(11(2)26-18-10)27(24,25)20-5-3-19(4-6-20)15-12(8-16)7-13(9-17-15)21(22)23/h7,9H,3-6H2,1-2H3