4-[5-[4-(1,3-benzothiazol-2-ylcarbonyl)piperidin-1-yl]pentoxy]benzoic acid

Systemtic Name: 4-[5-[4-(1,3-benzothiazol-2-ylcarbonyl)piperidin-1-yl]pentoxy]benzoic acid Openeye Name: 4-[5-[4-(1,3-benzothiazole-2-carbonyl)-1-piperidyl]pentoxy]benzoic acid CAS Name: 4-[5-[4-[1,3-benzothiazol-2-yl(oxo)methyl]-1-piperidinyl]pentoxy]benzoic acid IUPAC Name: 4-[5-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]pentoxy]benzoic acid Traditional Name: 4-[5-[4-(1,3-benzothiazole-2-carbonyl)piperidino]pentoxy]benzoic acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=NC3=CC=CC=C3S2)CCCCCOC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)C2=NC3=CC=CC=C3S2)CCCCCOC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H28N2O4S/c28-23(24-26-21-6-2-3-7-22(21)32-24)18-12-15-27(16-13-18)14-4-1-5-17-31-20-10-8-19(9-11-20)25(29)30/h2-3,6-11,18H,1,4-5,12-17H2,(H,29,30)