3-[4-[(2S)-2-azanyl-3-(methylamino)-3-oxidanylidene-propyl]phenoxy]propane-1-sulfonic acid

Systemtic Name: 3-[4-[(2S)-2-azanyl-3-(methylamino)-3-oxidanylidene-propyl]phenoxy]propane-1-sulfonic acid Openeye Name: 3-[4-[(2S)-2-amino-3-(methylamino)-3-oxo-propyl]phenoxy]propane-1-sulfonic acid CAS Name: 3-[4-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]phenoxy]-1-propanesulfonic acid IUPAC Name: 3-[4-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]phenoxy]propane-1-sulfonic acid Traditional Name: 3-[4-[(2S)-2-amino-3-keto-3-(methylamino)propyl]phenoxy]propane-1-sulfonic acid Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=C(C=C1)OCCCS(=O)(=O)O)N

Isomeric SMILES

CNC(=O)[C@H](CC1=CC=C(C=C1)OCCCS(=O)(=O)O)N

InChI

InChI=1S/C13H20N2O5S/c1-15-13(16)12(14)9-10-3-5-11(6-4-10)20-7-2-8-21(17,18)19/h3-6,12H,2,7-9,14H2,1H3,(H,15,16)(H,17,18,19)/t12-/m0/s1