4-phenyl-3-(1-pyridin-4-ylethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-phenyl-3-(1-pyridin-4-ylethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-phenyl-3-[1-(4-pyridyl)ethylamino]-5-sulfamoyl-benzoic acid CAS Name: 4-phenyl-3-(1-pyridin-4-ylethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-phenyl-3-(1-pyridin-4-ylethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-phenyl-3-[1-(4-pyridyl)ethylamino]-5-sulfamoyl-benzoic acid Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=NC=C1)NC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S/c1-13(14-7-9-22-10-8-14)23-17-11-16(20(24)25)12-18(28(21,26)27)19(17)15-5-3-2-4-6-15/h2-13,23H,1H3,(H,24,25)(H2,21,26,27)