1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone

Systemtic Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone Openeye Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone CAS Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-methylsulfonylphenyl)ethanone IUPAC Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone Traditional Name: 1-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]-2-(4-mesylphenyl)ethanone Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H23N3O5S3/c1-31(26,27)16-5-3-15(4-6-16)13-20(25)23-9-11-24(12-10-23)21-22-18-8-7-17(32(2,28)29)14-19(18)30-21/h3-8,14H,9-13H2,1-2H3