[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-benzothiazol-3-yl)methanone

Systemtic Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-benzothiazol-3-yl)methanone Openeye Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-benzothiazol-3-yl)methanone CAS Name: [4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-(5-methyl-1,2-benzothiazol-3-yl)methanone IUPAC Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-benzothiazol-3-yl)methanone Traditional Name: [4-(2,4-dimethylphenyl)sulfonylpiperazino]-(5-methyl-1,2-benzothiazol-3-yl)methanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NSC4=C3C=C(C=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NSC4=C3C=C(C=C4)C)C

InChI

InChI=1S/C21H23N3O3S2/c1-14-5-7-19(16(3)12-14)29(26,27)24-10-8-23(9-11-24)21(25)20-17-13-15(2)4-6-18(17)28-22-20/h4-7,12-13H,8-11H2,1-3H3