2-(2-piperidin-1-ylphenyl)-1,3-benzoxazole-5-sulfonic acid

Systemtic Name: 2-(2-piperidin-1-ylphenyl)-1,3-benzoxazole-5-sulfonic acid Openeye Name: 2-[2-(1-piperidyl)phenyl]-1,3-benzoxazole-5-sulfonic acid CAS Name: 2-[2-(1-piperidinyl)phenyl]-1,3-benzoxazole-5-sulfonic acid IUPAC Name: 2-(2-piperidin-1-ylphenyl)-1,3-benzoxazole-5-sulfonic acid Traditional Name: 2-(2-piperidinophenyl)-1,3-benzoxazole-5-sulfonic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)O

InChI

InChI=1S/C18H18N2O4S/c21-25(22,23)13-8-9-17-15(12-13)19-18(24-17)14-6-2-3-7-16(14)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,22,23)