1,2-benzothiazol-3-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1,2-benzothiazol-3-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 1,2-benzothiazol-3-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 1,2-benzothiazol-3-yl-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1,2-benzothiazol-3-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 1,2-benzothiazol-3-yl-[4-(2,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NSC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NSC4=CC=CC=C43)C

InChI

InChI=1S/C20H21N3O3S2/c1-14-7-8-18(15(2)13-14)28(25,26)23-11-9-22(10-12-23)20(24)19-16-5-3-4-6-17(16)27-21-19/h3-8,13H,9-12H2,1-2H3