[4-(3-azanyl-2-methoxy-4-pyridin-3-yl-5-sulfamoyl-phenyl)phenyl] 2-azanylethanoate dihydrochloride

Systemtic Name: [4-(3-azanyl-2-methoxy-4-pyridin-3-yl-5-sulfamoyl-phenyl)phenyl] 2-azanylethanoate dihydrochloride Openeye Name: [4-[3-amino-2-methoxy-4-(3-pyridyl)-5-sulfamoyl-phenyl]phenyl] 2-aminoacetate dihydrochloride CAS Name: 2-aminoacetic acid [4-[3-amino-2-methoxy-4-(3-pyridinyl)-5-sulfamoylphenyl]phenyl] ester dihydrochloride IUPAC Name: [4-(3-amino-2-methoxy-4-pyridin-3-yl-5-sulfamoylphenyl)phenyl] 2-aminoacetate dihydrochloride Traditional Name: 2-aminoacetic acid [4-[3-amino-2-methoxy-4-(3-pyridyl)-5-sulfamoyl-phenyl]phenyl] ester dihydrochloride Formula: C20H22Cl2N4O5S MolecularWeight: 501.38348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1C2=CC=C(C=C2)OC(=O)CN)S(=O)(=O)N)C3=CN=CC=C3)N.Cl.Cl

Isomeric SMILES

COC1=C(C(=C(C=C1C2=CC=C(C=C2)OC(=O)CN)S(=O)(=O)N)C3=CN=CC=C3)N.Cl.Cl

InChI

InChI=1S/C20H20N4O5S.2ClH/c1-28-20-15(12-4-6-14(7-5-12)29-17(25)10-21)9-16(30(23,26)27)18(19(20)22)13-3-2-8-24-11-13;;/h2-9,11H,10,21-22H2,1H3,(H2,23,26,27);2*1H