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

Systemtic Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-ethanone Openeye Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(p-tolylsulfonyl)ethanone CAS Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-methylphenyl)sulfonylethanone IUPAC Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone Traditional Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]-2-tosyl-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)C4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S2/c1-3-29-17-6-9-19-20(14-17)30-22(23-19)25-12-10-24(11-13-25)21(26)15-31(27,28)18-7-4-16(2)5-8-18/h4-9,14H,3,10-13,15H2,1-2H3