6-methyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 6-methyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole Openeye Name: 6-methyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole CAS Name: 6-methyl-2-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzoxazole IUPAC Name: 6-methyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[(4-mesitylsulfonylpiperazino)methyl]-6-methyl-1,3-benzoxazole Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)CN3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)CN3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C22H27N3O3S/c1-15-5-6-19-20(13-15)28-21(23-19)14-24-7-9-25(10-8-24)29(26,27)22-17(3)11-16(2)12-18(22)4/h5-6,11-13H,7-10,14H2,1-4H3