(3,5-dimethylphenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (3,5-dimethylphenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3,5-dimethylphenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3,5-dimethylphenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3,5-dimethylphenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3,5-dimethylphenyl)-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-14-10-15(2)12-16(11-14)20(25)23-6-8-24(9-7-23)21-22-18-5-4-17(29(3,26)27)13-19(18)28-21/h4-5,10-13H,6-9H2,1-3H3