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

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

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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)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

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