[2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

Systemtic Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Openeye Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate CAS Name: 4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-(2,6-dimethylmorpholino)sulfonylbenzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N(C)C

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N(C)C

InChI

InChI=1S/C22H25N3O5S2/c1-14-12-25(13-15(2)29-14)32(27,28)18-8-5-16(6-9-18)21(26)30-17-7-10-19-20(11-17)31-22(23-19)24(3)4/h5-11,14-15H,12-13H2,1-4H3