2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazino]methyl]-1,3-benzoxazole Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H27N3O3S/c1-22(2,3)17-8-10-18(11-9-17)29(26,27)25-14-12-24(13-15-25)16-21-23-19-6-4-5-7-20(19)28-21/h4-11H,12-16H2,1-3H3