1,3-benzothiazol-6-yl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]methanone Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4)C)C

InChI

InChI=1S/C22H25N3O3S2/c1-14-11-15(2)17(4)21(16(14)3)30(27,28)25-9-7-24(8-10-25)22(26)18-5-6-19-20(12-18)29-13-23-19/h5-6,11-13H,7-10H2,1-4H3