2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]ethanone Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COCC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COCC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H25N3O6S2/c1-29-18-8-7-16(13-19(18)30-2)33(27,28)25-11-9-24(10-12-25)22(26)15-31-14-21-23-17-5-3-4-6-20(17)32-21/h3-8,13H,9-12,14-15H2,1-2H3