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

Systemtic Name: 2-[4-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(5-isopropyl-3-methyl-isoxazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-methyl-5-propan-2-yl-4-isoxazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(5-isopropyl-3-methyl-isoxazole-4-carbonyl)piperazino]sulfonylbenzonitrile Formula: C19H22N4O4S MolecularWeight: 402.46738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C(C)C

InChI

InChI=1S/C19H22N4O4S/c1-13(2)18-17(14(3)21-27-18)19(24)22-8-10-23(11-9-22)28(25,26)16-7-5-4-6-15(16)12-20/h4-7,13H,8-11H2,1-3H3