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

Systemtic Name: 4-[4-[(2S)-2-azanyl-3-(methylamino)-3-oxidanylidene-propyl]phenoxy]butane-1-sulfonic acid Openeye Name: 4-[4-[(2S)-2-amino-3-(methylamino)-3-oxo-propyl]phenoxy]butane-1-sulfonic acid CAS Name: 4-[4-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]phenoxy]-1-butanesulfonic acid IUPAC Name: 4-[4-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]phenoxy]butane-1-sulfonic acid Traditional Name: 4-[4-[(2S)-2-amino-3-keto-3-(methylamino)propyl]phenoxy]butane-1-sulfonic acid Formula: C14H22N2O5S MolecularWeight: 330.39988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O5S/c1-16-14(17)13(15)10-11-4-6-12(7-5-11)21-8-2-3-9-22(18,19)20/h4-7,13H,2-3,8-10,15H2,1H3,(H,16,17)(H,18,19,20)/t13-/m0/s1