2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazino]methyl]-1,3-benzothiazole Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C20H23N3O2S2/c1-15-7-8-19(16(2)13-15)27(24,25)23-11-9-22(10-12-23)14-20-21-17-5-3-4-6-18(17)26-20/h3-8,13H,9-12,14H2,1-2H3