2-[[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-sulfonic acid

Systemtic Name: 2-[[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-sulfonic acid Openeye Name: 2-[[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]methyl]chromane-6-sulfonic acid CAS Name: 2-[[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-sulfonic acid IUPAC Name: 2-[[[2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-sulfonic acid Traditional Name: 2-[[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]methyl]chroman-6-sulfonic acid Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)O)OC1CNCC(C3=CN=C(C=C3)N)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)O)OC1CNCC(C3=CN=C(C=C3)N)O

InChI

InChI=1S/C17H21N3O5S/c18-17-6-2-12(8-20-17)15(21)10-19-9-13-3-1-11-7-14(26(22,23)24)4-5-16(11)25-13/h2,4-8,13,15,19,21H,1,3,9-10H2,(H2,18,20)(H,22,23,24)