5-[3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-ethyl-phenyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-ethyl-phenyl]-3-methyl-1,2-oxazole Openeye Name: 5-[3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-ethyl-phenyl]-3-methyl-isoxazole CAS Name: 5-[3-[(4-cyclohexyl-1-piperazinyl)sulfonyl]-4-ethylphenyl]-3-methylisoxazole IUPAC Name: 5-[3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-ethylphenyl]-3-methyl-1,2-oxazole Traditional Name: 5-[3-(4-cyclohexylpiperazino)sulfonyl-4-ethyl-phenyl]-3-methyl-isoxazole Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C22H31N3O3S/c1-3-18-9-10-19(21-15-17(2)23-28-21)16-22(18)29(26,27)25-13-11-24(12-14-25)20-7-5-4-6-8-20/h9-10,15-16,20H,3-8,11-14H2,1-2H3