[4-(1,3-benzoxazol-2-yl)-2-(morpholin-4-ylmethyl)phenyl] propane-1-sulfonate

Systemtic Name: [4-(1,3-benzoxazol-2-yl)-2-(morpholin-4-ylmethyl)phenyl] propane-1-sulfonate Openeye Name: [4-(1,3-benzoxazol-2-yl)-2-(morpholinomethyl)phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [4-(1,3-benzoxazol-2-yl)-2-(morpholin-4-ylmethyl)phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-(1,3-benzoxazol-2-yl)-2-(morpholinomethyl)phenyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)CN4CCOCC4

Isomeric SMILES

CCCS(=O)(=O)OC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)CN4CCOCC4

InChI

InChI=1S/C21H24N2O5S/c1-2-13-29(24,25)28-19-8-7-16(14-17(19)15-23-9-11-26-12-10-23)21-22-18-5-3-4-6-20(18)27-21/h3-8,14H,2,9-13,15H2,1H3