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

Systemtic Name: 2-(3-methylphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(m-tolyl)ethanone CAS Name: 2-(3-methylphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(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-(m-tolyl)ethanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-15-4-3-5-16(12-15)13-20(25)23-8-10-24(11-9-23)21-22-18-7-6-17(29(2,26)27)14-19(18)28-21/h3-7,12,14H,8-11,13H2,1-2H3