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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2-benzothiazol-3-one Openeye Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2-benzothiazol-3-one CAS Name: 2-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1,2-benzothiazol-3-one IUPAC Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2-benzothiazol-3-one Traditional Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazino]methyl]-1,2-benzothiazol-3-one Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4S3)C

InChI

InChI=1S/C20H23N3O3S2/c1-15-7-8-17(13-16(15)2)28(25,26)22-11-9-21(10-12-22)14-23-20(24)18-5-3-4-6-19(18)27-23/h3-8,13H,9-12,14H2,1-2H3