2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-ethyl-5-methyl-isoxazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-ethyl-5-methyl-4-isoxazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-ethyl-5-methyl-isoxazole-4-carbonyl)piperazino]sulfonylbenzonitrile Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C18H20N4O4S/c1-3-15-17(13(2)26-20-15)18(23)21-8-10-22(11-9-21)27(24,25)16-7-5-4-6-14(16)12-19/h4-7H,3,8-11H2,1-2H3