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

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-ethanone Openeye Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(p-tolylsulfonyl)ethanone CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-methylphenyl)sulfonylethanone IUPAC Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone Traditional Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazino]-2-tosyl-ethanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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