[4-(2-methyl-1,3-benzothiazol-5-yl)piperazin-1-yl]-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]methanone

Systemtic Name: [4-(2-methyl-1,3-benzothiazol-5-yl)piperazin-1-yl]-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]methanone Openeye Name: (2-isobutoxy-5-methylsulfonyl-phenyl)-[4-(2-methyl-1,3-benzothiazol-5-yl)piperazin-1-yl]methanone CAS Name: [4-(2-methyl-1,3-benzothiazol-5-yl)-1-piperazinyl]-[2-(2-methylpropoxy)-5-methylsulfonylphenyl]methanone IUPAC Name: [4-(2-methyl-1,3-benzothiazol-5-yl)piperazin-1-yl]-[2-(2-methylpropoxy)-5-methylsulfonylphenyl]methanone Traditional Name: (2-isobutoxy-5-mesyl-phenyl)-[4-(2-methyl-1,3-benzothiazol-5-yl)piperazino]methanone Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)S(=O)(=O)C)OCC(C)C

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)S(=O)(=O)C)OCC(C)C

InChI

InChI=1S/C24H29N3O4S2/c1-16(2)15-31-22-7-6-19(33(4,29)30)14-20(22)24(28)27-11-9-26(10-12-27)18-5-8-23-21(13-18)25-17(3)32-23/h5-8,13-14,16H,9-12,15H2,1-4H3