[3-azanyl-3-(phenylsulfonylamino)propanoyl] 4-(2-azanylethoxy)benzoate hydrochloride

Systemtic Name: [3-azanyl-3-(phenylsulfonylamino)propanoyl] 4-(2-azanylethoxy)benzoate hydrochloride Openeye Name: [3-amino-3-(benzenesulfonamido)propanoyl] 4-(2-aminoethoxy)benzoate hydrochloride CAS Name: 4-(2-aminoethoxy)benzoic acid [3-amino-3-(benzenesulfonamido)-1-oxopropyl] ester hydrochloride IUPAC Name: [3-amino-3-(benzenesulfonamido)propanoyl] 4-(2-aminoethoxy)benzoate hydrochloride Traditional Name: 4-(2-aminoethoxy)benzoic acid [3-amino-3-(benzenesulfonamido)propanoyl] ester hydrochloride Formula: C18H22ClN3O6S MolecularWeight: 443.90178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)OC(=O)C2=CC=C(C=C2)OCCN)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)OC(=O)C2=CC=C(C=C2)OCCN)N.Cl

InChI

InChI=1S/C18H21N3O6S.ClH/c19-10-11-26-14-8-6-13(7-9-14)18(23)27-17(22)12-16(20)21-28(24,25)15-4-2-1-3-5-15;/h1-9,16,21H,10-12,19-20H2;1H