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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=C(O3)C=C(C=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=C(O3)C=C(C=C4)C)C

InChI

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