sodium 2-(2-chloranylphenoxy)-5-[(3-methylphenyl)carbamoylamino]benzenesulfonic acid

Systemtic Name: sodium 2-(2-chloranylphenoxy)-5-[(3-methylphenyl)carbamoylamino]benzenesulfonic acid Openeye Name: sodium 2-(2-chlorophenoxy)-5-(m-tolylcarbamoylamino)benzenesulfonic acid CAS Name: sodium 2-(2-chlorophenoxy)-5-[[(3-methylanilino)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: sodium 2-(2-chlorophenoxy)-5-[(3-methylphenyl)carbamoylamino]benzenesulfonic acid Traditional Name: sodium 2-(2-chlorophenoxy)-5-(m-tolylcarbamoylamino)besylic acid Formula: C20H17ClN2NaO5S+ MolecularWeight: 455.86715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)OC3=CC=CC=C3Cl)S(=O)(=O)O.[Na+]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)OC3=CC=CC=C3Cl)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H17ClN2O5S.Na/c1-13-5-4-6-14(11-13)22-20(24)23-15-9-10-18(19(12-15)29(25,26)27)28-17-8-3-2-7-16(17)21;/h2-12H,1H3,(H2,22,23,24)(H,25,26,27);/q;+1