[2-azanyl-2-(phenylsulfonylamino)propanoyl] 2-(2-azanylpropoxy)benzoate hydrochloride

Systemtic Name: [2-azanyl-2-(phenylsulfonylamino)propanoyl] 2-(2-azanylpropoxy)benzoate hydrochloride Openeye Name: [2-amino-2-(benzenesulfonamido)propanoyl] 2-(2-aminopropoxy)benzoate hydrochloride CAS Name: 2-(2-aminopropoxy)benzoic acid [2-amino-2-(benzenesulfonamido)-1-oxopropyl] ester hydrochloride IUPAC Name: [2-amino-2-(benzenesulfonamido)propanoyl] 2-(2-aminopropoxy)benzoate hydrochloride Traditional Name: 2-(2-aminopropoxy)benzoic acid [2-amino-2-(benzenesulfonamido)propanoyl] ester hydrochloride Formula: C19H24ClN3O6S MolecularWeight: 457.92836

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1C(=O)OC(=O)C(C)(N)NS(=O)(=O)C2=CC=CC=C2)N.Cl

Isomeric SMILES

CC(COC1=CC=CC=C1C(=O)OC(=O)C(C)(N)NS(=O)(=O)C2=CC=CC=C2)N.Cl

InChI

InChI=1S/C19H23N3O6S.ClH/c1-13(20)12-27-16-11-7-6-10-15(16)17(23)28-18(24)19(2,21)22-29(25,26)14-8-4-3-5-9-14;/h3-11,13,22H,12,20-21H2,1-2H3;1H