(2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C26H31N3O4S2 MolecularWeight: 513.67204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCCCC5)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCCCC5)C

InChI

InChI=1S/C26H31N3O4S2/c1-18-14-19(2)17-29(16-18)35(31,32)22-9-6-20(7-10-22)25(30)33-21-8-11-23-24(15-21)34-26(27-23)28-12-4-3-5-13-28/h6-11,15,18-19H,3-5,12-14,16-17H2,1-2H3