5-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]-3,4-dimethyl-1,2-oxazole

Systemtic Name: 5-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]-3,4-dimethyl-1,2-oxazole Openeye Name: 5-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]-3,4-dimethyl-isoxazole CAS Name: 5-[3-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]-4-methylphenyl]-3,4-dimethylisoxazole IUPAC Name: 5-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole Traditional Name: 5-[3-[4-(4-chlorophenyl)piperazino]sulfonyl-4-methyl-phenyl]-3,4-dimethyl-isoxazole Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C(=NO2)C)C)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C(=NO2)C)C)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O3S/c1-15-4-5-18(22-16(2)17(3)24-29-22)14-21(15)30(27,28)26-12-10-25(11-13-26)20-8-6-19(23)7-9-20/h4-9,14H,10-13H2,1-3H3