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

Systemtic Name: 2-(4-methoxyphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-methoxyphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-methoxyphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methoxyphenyl)-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-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=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

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