6-bromanyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-bromanyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 6-bromo-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 6-bromo-3-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-bromo-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 6-bromo-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazino]methyl]-1,3-benzoxazol-2-one Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CN3C4=C(C=C(C=C4)Br)OC3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CN3C4=C(C=C(C=C4)Br)OC3=O

InChI

InChI=1S/C20H22BrN3O4S/c1-14-3-4-15(2)19(11-14)29(26,27)23-9-7-22(8-10-23)13-24-17-6-5-16(21)12-18(17)28-20(24)25/h3-6,11-12H,7-10,13H2,1-2H3