1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone

Systemtic Name: 1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone Openeye Name: 2-(4-isopropylsulfonylphenyl)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-propan-2-ylsulfonylphenyl)ethanone IUPAC Name: 1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone Traditional Name: 2-(4-isopropylsulfonylphenyl)-1-[4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C23H27N3O5S3 MolecularWeight: 521.67258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

InChI=1S/C23H27N3O5S3/c1-16(2)34(30,31)18-9-7-17(8-10-18)15-21(27)25-11-13-26(14-12-25)23-24-22-19(32-23)5-4-6-20(22)33(3,28)29/h4-10,16H,11-15H2,1-3H3