4-[(6-methylpyridin-2-yl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(6-methylpyridin-2-yl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3-(benzylamino)-4-[(6-methyl-2-pyridyl)amino]-5-sulfamoyl-benzoic acid CAS Name: 4-[(6-methyl-2-pyridinyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 3-(benzylamino)-4-[(6-methylpyridin-2-yl)amino]-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylamino)-4-[(6-methyl-2-pyridyl)amino]-5-sulfamoyl-benzoic acid Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4S/c1-13-6-5-9-18(23-13)24-19-16(22-12-14-7-3-2-4-8-14)10-15(20(25)26)11-17(19)29(21,27)28/h2-11,22H,12H2,1H3,(H,23,24)(H,25,26)(H2,21,27,28)