2-(4-piperidin-1-ylphenyl)-1,3-benzoxazole-5-sulfonic acid

Systemtic Name: 2-(4-piperidin-1-ylphenyl)-1,3-benzoxazole-5-sulfonic acid Openeye Name: 2-[4-(1-piperidyl)phenyl]-1,3-benzoxazole-5-sulfonic acid CAS Name: 2-[4-(1-piperidinyl)phenyl]-1,3-benzoxazole-5-sulfonic acid IUPAC Name: 2-(4-piperidin-1-ylphenyl)-1,3-benzoxazole-5-sulfonic acid Traditional Name: 2-(4-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=C(C=C2)C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)O

InChI

InChI=1S/C18H18N2O4S/c21-25(22,23)15-8-9-17-16(12-15)19-18(24-17)13-4-6-14(7-5-13)20-10-2-1-3-11-20/h4-9,12H,1-3,10-11H2,(H,21,22,23)