1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone Openeye Name: 2-benzylsulfonyl-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylmethyl)sulfonylethanone IUPAC Name: 2-benzylsulfonyl-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-benzylsulfonyl-1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4S2/c1-2-29-18-8-9-19-20(14-18)30-22(23-19)25-12-10-24(11-13-25)21(26)16-31(27,28)15-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15-16H2,1H3