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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6-methyl-1,3-benzoxazole Openeye Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6-methyl-1,3-benzoxazole CAS Name: 2-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-6-methyl-1,3-benzoxazole IUPAC Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6-methyl-1,3-benzoxazole Traditional Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazino]methyl]-6-methyl-1,3-benzoxazole Formula: C21H25N3O3S MolecularWeight: 399.5065

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-15-4-7-19-20(12-15)27-21(22-19)14-23-8-10-24(11-9-23)28(25,26)18-6-5-16(2)17(3)13-18/h4-7,12-13H,8-11,14H2,1-3H3