2-[4-[(2S)-2-azanyl-3-(methylamino)-3-oxidanylidene-propyl]phenoxy]ethanesulfonic acid

Systemtic Name: 2-[4-[(2S)-2-azanyl-3-(methylamino)-3-oxidanylidene-propyl]phenoxy]ethanesulfonic acid Openeye Name: 2-[4-[(2S)-2-amino-3-(methylamino)-3-oxo-propyl]phenoxy]ethanesulfonic acid CAS Name: 2-[4-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]phenoxy]ethanesulfonic acid IUPAC Name: 2-[4-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]phenoxy]ethanesulfonic acid Traditional Name: 2-[4-[(2S)-2-amino-3-keto-3-(methylamino)propyl]phenoxy]ethanesulfonic acid Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O5S/c1-14-12(15)11(13)8-9-2-4-10(5-3-9)19-6-7-20(16,17)18/h2-5,11H,6-8,13H2,1H3,(H,14,15)(H,16,17,18)/t11-/m0/s1