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

Systemtic Name: 2-(4-methoxy-3-methyl-phenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-methoxy-3-methyl-phenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-methoxy-3-methylphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methoxy-3-methylphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]-2-(4-methoxy-3-methyl-phenyl)ethanone Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)OC

InChI

InChI=1S/C22H25N3O4S2/c1-15-12-16(4-7-19(15)29-2)13-21(26)24-8-10-25(11-9-24)22-23-18-6-5-17(31(3,27)28)14-20(18)30-22/h4-7,12,14H,8-11,13H2,1-3H3