2-bromanyl-5-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[(4-ethylphenyl)methyl-(3-pyridylmethyl)sulfamoyl]benzoic acid CAS Name: 2-bromo-5-[(4-ethylphenyl)methyl-(3-pyridinylmethyl)sulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[(4-ethylbenzyl)-(3-pyridylmethyl)sulfamoyl]benzoic acid Formula: C22H21BrN2O4S MolecularWeight: 489.38214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C22H21BrN2O4S/c1-2-16-5-7-17(8-6-16)14-25(15-18-4-3-11-24-13-18)30(28,29)19-9-10-21(23)20(12-19)22(26)27/h3-13H,2,14-15H2,1H3,(H,26,27)