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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazino]ethanone Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S2/c1-28-16-6-8-17(9-7-16)31(26,27)24-12-10-23(11-13-24)21(25)15-29-14-20-22-18-4-2-3-5-19(18)30-20/h2-9H,10-15H2,1H3