2-(4-chloranylphenoxy)-2-methyl-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-chlorophenoxy)-1-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]-2-methyl-propan-1-one Formula: C22H24ClN3O4S2 MolecularWeight: 494.02666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O4S2/c1-22(2,30-16-6-4-15(23)5-7-16)20(27)25-10-12-26(13-11-25)21-24-18-9-8-17(32(3,28)29)14-19(18)31-21/h4-9,14H,10-13H2,1-3H3