[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

Systemtic Name: [4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone Openeye Name: (3-ethyl-5-methyl-isoxazol-4-yl)-[4-[4-[(1R)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: [4-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-(3-ethyl-5-methyl-4-isoxazolyl)methanone IUPAC Name: [4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone Traditional Name: (3-ethyl-5-methyl-isoxazol-4-yl)-[4-[4-[(1R)-1-methylpropyl]phenyl]sulfonylpiperazino]methanone Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[C@H](C)CC)C

InChI

InChI=1S/C21H29N3O4S/c1-5-15(3)17-7-9-18(10-8-17)29(26,27)24-13-11-23(12-14-24)21(25)20-16(4)28-22-19(20)6-2/h7-10,15H,5-6,11-14H2,1-4H3/t15-/m1/s1