5-[[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole Openeye Name: 5-[[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]methyl]-3-methyl-isoxazole CAS Name: 5-[[4-[2-(4-bromophenyl)sulfonylethyl]-1-piperazinyl]methyl]-3-methylisoxazole IUPAC Name: 5-[[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole Traditional Name: 5-[[4-(2-brosylethyl)piperazino]methyl]-3-methyl-isoxazole Formula: C17H22BrN3O3S MolecularWeight: 428.34388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2CCN(CC2)CCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NOC(=C1)CN2CCN(CC2)CCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H22BrN3O3S/c1-14-12-16(24-19-14)13-21-8-6-20(7-9-21)10-11-25(22,23)17-4-2-15(18)3-5-17/h2-5,12H,6-11,13H2,1H3