5-[4-[(2S)-2-azanyl-3-(methylamino)-3-oxidanylidene-propyl]phenoxy]pentane-1-sulfonic acid

Systemtic Name: 5-[4-[(2S)-2-azanyl-3-(methylamino)-3-oxidanylidene-propyl]phenoxy]pentane-1-sulfonic acid Openeye Name: 5-[4-[(2S)-2-amino-3-(methylamino)-3-oxo-propyl]phenoxy]pentane-1-sulfonic acid CAS Name: 5-[4-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]phenoxy]-1-pentanesulfonic acid IUPAC Name: 5-[4-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]phenoxy]pentane-1-sulfonic acid Traditional Name: 5-[4-[(2S)-2-amino-3-keto-3-(methylamino)propyl]phenoxy]pentane-1-sulfonic acid Formula: C15H24N2O5S MolecularWeight: 344.42646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O5S/c1-17-15(18)14(16)11-12-5-7-13(8-6-12)22-9-3-2-4-10-23(19,20)21/h5-8,14H,2-4,9-11,16H2,1H3,(H,17,18)(H,19,20,21)/t14-/m0/s1