2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]ethanone Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3)OC

InChI

InChI=1S/C21H23N3O6S2/c1-28-18-8-7-15(13-19(18)29-2)32(26,27)24-11-9-23(10-12-24)20(25)14-31-21-22-16-5-3-4-6-17(16)30-21/h3-8,13H,9-12,14H2,1-2H3