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

Systemtic Name: 5-[4-ethyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenyl]-3-methyl-1,2-oxazole Openeye Name: 5-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-ethyl-phenyl]-3-methyl-isoxazole CAS Name: 5-[4-ethyl-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-3-methylisoxazole IUPAC Name: 5-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-ethylphenyl]-3-methyl-1,2-oxazole Traditional Name: 5-[3-(4-benzylpiperazino)sulfonyl-4-ethyl-phenyl]-3-methyl-isoxazole Formula: C23H27N3O3S MolecularWeight: 425.54378

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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)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c1-3-20-9-10-21(22-15-18(2)24-29-22)16-23(20)30(27,28)26-13-11-25(12-14-26)17-19-7-5-4-6-8-19/h4-10,15-16H,3,11-14,17H2,1-2H3