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

Systemtic Name: 2-(4-methoxyphenyl)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-methoxyphenyl)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-methoxyphenyl)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methoxyphenyl)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]-2-(4-methoxyphenyl)ethanone Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

InChI=1S/C21H23N3O4S2/c1-28-16-8-6-15(7-9-16)14-19(25)23-10-12-24(13-11-23)21-22-20-17(29-21)4-3-5-18(20)30(2,26)27/h3-9H,10-14H2,1-2H3