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

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (2-pyrrolidin-1-yl-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-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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)N5CCCC5)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCCC5)C

InChI

InChI=1S/C25H29N3O4S2/c1-17-13-18(2)16-28(15-17)34(30,31)21-8-5-19(6-9-21)24(29)32-20-7-10-22-23(14-20)33-25(26-22)27-11-3-4-12-27/h5-10,14,17-18H,3-4,11-13,15-16H2,1-2H3