3-morpholin-4-ylpropane-1-sulfonic acid; N-(phenoxymethyl)pyridin-4-amine

Systemtic Name: 3-morpholin-4-ylpropane-1-sulfonic acid; N-(phenoxymethyl)pyridin-4-amine Openeye Name: 3-morpholinopropane-1-sulfonic acid; N-(phenoxymethyl)pyridin-4-amine CAS Name: 3-(4-morpholinyl)-1-propanesulfonic acid; N-(phenoxymethyl)-4-pyridinamine IUPAC Name: 3-morpholin-4-ylpropane-1-sulfonic acid; N-(phenoxymethyl)pyridin-4-amine Traditional Name: 3-morpholinopropane-1-sulfonic acid; phenoxymethyl(4-pyridyl)amine Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCS(=O)(=O)O.C1=CC=C(C=C1)OCNC2=CC=NC=C2

Isomeric SMILES

C1COCCN1CCCS(=O)(=O)O.C1=CC=C(C=C1)OCNC2=CC=NC=C2

InChI

InChI=1S/C12H12N2O.C7H15NO4S/c1-2-4-12(5-3-1)15-10-14-11-6-8-13-9-7-11;9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-9H,10H2,(H,13,14);1-7H2,(H,9,10,11)