(2,5-dimethoxyphenyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2,5-dimethoxyphenyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2,5-dimethoxyphenyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (2,5-dimethoxyphenyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (2,5-dimethoxyphenyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (2,5-dimethoxyphenyl)-[4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S2/c1-28-14-7-8-16(29-2)15(13-14)20(25)23-9-11-24(12-10-23)21-22-19-17(30-21)5-4-6-18(19)31(3,26)27/h4-8,13H,9-12H2,1-3H3