(3-azanyl-2-phenyl-4-pyridin-3-yl-5-sulfamoyl-phenyl) 4-methoxybenzenesulfonate

Systemtic Name: (3-azanyl-2-phenyl-4-pyridin-3-yl-5-sulfamoyl-phenyl) 4-methoxybenzenesulfonate Openeye Name: [3-amino-2-phenyl-4-(3-pyridyl)-5-sulfamoyl-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-amino-2-phenyl-4-(3-pyridinyl)-5-sulfamoylphenyl] ester IUPAC Name: (3-amino-2-phenyl-4-pyridin-3-yl-5-sulfamoylphenyl) 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-amino-2-phenyl-4-(3-pyridyl)-5-sulfamoyl-phenyl] ester Formula: C24H21N3O6S2 MolecularWeight: 511.57004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C(=C2C3=CC=CC=C3)N)C4=CN=CC=C4)S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C(=C2C3=CC=CC=C3)N)C4=CN=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C24H21N3O6S2/c1-32-18-9-11-19(12-10-18)35(30,31)33-20-14-21(34(26,28)29)23(17-8-5-13-27-15-17)24(25)22(20)16-6-3-2-4-7-16/h2-15H,25H2,1H3,(H2,26,28,29)