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

Systemtic Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-6-methyl-1,3-benzoxazole Openeye Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-6-methyl-1,3-benzoxazole CAS Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]methyl]-6-methyl-1,3-benzoxazole IUPAC Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-6-methyl-1,3-benzoxazole Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]methyl]-6-methyl-1,3-benzoxazole Formula: C21H25N3O5S MolecularWeight: 431.5053

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-15-4-6-17-19(12-15)29-21(22-17)14-23-8-10-24(11-9-23)30(25,26)16-5-7-18(27-2)20(13-16)28-3/h4-7,12-13H,8-11,14H2,1-3H3