5-ethylsulfonyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-ethylsulfonyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione Openeye Name: 5-ethylsulfonyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione CAS Name: 5-ethylsulfonyl-3-[(4-methylsulfonyl-1-piperazinyl)methyl]-1,3-benzoxazole-2-thione IUPAC Name: 5-ethylsulfonyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione Traditional Name: 5-esyl-3-[(4-mesylpiperazino)methyl]-1,3-benzoxazole-2-thione Formula: C15H21N3O5S3 MolecularWeight: 419.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C15H21N3O5S3/c1-3-26(21,22)12-4-5-14-13(10-12)18(15(24)23-14)11-16-6-8-17(9-7-16)25(2,19)20/h4-5,10H,3,6-9,11H2,1-2H3