(2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate CAS Name: 4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-(2,6-dimethylmorpholino)sulfonylbenzoic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C25H29N3O5S2 MolecularWeight: 515.64486

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)N5CCCCC5

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCCCC5

InChI

InChI=1S/C25H29N3O5S2/c1-17-15-28(16-18(2)32-17)35(30,31)21-9-6-19(7-10-21)24(29)33-20-8-11-22-23(14-20)34-25(26-22)27-12-4-3-5-13-27/h6-11,14,17-18H,3-5,12-13,15-16H2,1-2H3