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

Systemtic Name: 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H18N4O4S/c1-12-16(13(2)25-19-12)26(23,24)21-8-6-20(7-9-21)17(22)15-5-3-4-14(10-15)11-18/h3-5,10H,6-9H2,1-2H3