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

Systemtic Name: 6-methyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]methyl]-6-methyl-1,3-benzoxazole CAS Name: 6-methyl-2-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzoxazole IUPAC Name: 6-methyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole Traditional Name: 6-methyl-2-[(4-p-cumenylsulfonylpiperazino)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=CC=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

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