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

Systemtic Name: 2-(4-pyrrolidin-1-ylphenyl)-1,3-benzoxazole-5-sulfonic acid Openeye Name: 2-(4-pyrrolidin-1-ylphenyl)-1,3-benzoxazole-5-sulfonic acid CAS Name: 2-[4-(1-pyrrolidinyl)phenyl]-1,3-benzoxazole-5-sulfonic acid IUPAC Name: 2-(4-pyrrolidin-1-ylphenyl)-1,3-benzoxazole-5-sulfonic acid Traditional Name: 2-(4-pyrrolidinophenyl)-1,3-benzoxazole-5-sulfonic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)O

InChI

InChI=1S/C17H16N2O4S/c20-24(21,22)14-7-8-16-15(11-14)18-17(23-16)12-3-5-13(6-4-12)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,20,21,22)