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

Systemtic Name: 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]-3,4-dimethyl-1,2-oxazole Openeye Name: 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]-3,4-dimethyl-isoxazole CAS Name: 5-[3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-4-methylphenyl]-3,4-dimethylisoxazole IUPAC Name: 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3,4-dimethyl-1,2-oxazole Traditional Name: 5-[3-[4-(3-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(=CC=C4)Cl

Isomeric SMILES

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

InChI

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