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

Systemtic Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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