5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-isobutyl-1,2,4-oxadiazole CAS Name: 5-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole Traditional Name: 3-isobutyl-5-[(4-p-phenetylsulfonylpiperazino)methyl]-1,2,4-oxadiazole Formula: C19H28N4O4S MolecularWeight: 408.51502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC(=NO3)CC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC(=NO3)CC(C)C

InChI

InChI=1S/C19H28N4O4S/c1-4-26-16-5-7-17(8-6-16)28(24,25)23-11-9-22(10-12-23)14-19-20-18(21-27-19)13-15(2)3/h5-8,15H,4,9-14H2,1-3H3