potassium 2-[[5-methanidyl-2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: potassium 2-[[5-methanidyl-2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylamino]benzoic acid Openeye Name: potassium 2-[[5-methanidyl-2-(p-tolylsulfonylamino)benzoyl]amino]benzoic acid CAS Name: potassium 2-[[[5-methanidyl-2-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: potassium 2-[[5-methanidyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid Traditional Name: potassium 2-[[5-methanidyl-2-(tosylamino)benzoyl]amino]benzoic acid Formula: C22H19KN2O5S MolecularWeight: 462.55996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[CH2-])C(=O)NC3=CC=CC=C3C(=O)O.[K+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[CH2-])C(=O)NC3=CC=CC=C3C(=O)O.[K+]

InChI

InChI=1S/C22H19N2O5S.K/c1-14-7-10-16(11-8-14)30(28,29)24-20-12-9-15(2)13-18(20)21(25)23-19-6-4-3-5-17(19)22(26)27;/h3-13,24H,2H2,1H3,(H,23,25)(H,26,27);/q-1;+1