1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CCS(=O)(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CCS(=O)(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H25N3O5S2/c1-29-17-8-9-18-20(21(17)30-2)23-22(31-18)25-13-11-24(12-14-25)19(26)10-15-32(27,28)16-6-4-3-5-7-16/h3-9H,10-15H2,1-2H3