sodium 4-(2-chloranylphenoxy)-3-[(4-methylphenyl)carbamoylamino]benzenesulfonic acid

Systemtic Name: sodium 4-(2-chloranylphenoxy)-3-[(4-methylphenyl)carbamoylamino]benzenesulfonic acid Openeye Name: sodium 4-(2-chlorophenoxy)-3-(p-tolylcarbamoylamino)benzenesulfonic acid CAS Name: sodium 4-(2-chlorophenoxy)-3-[[(4-methylanilino)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: sodium 4-(2-chlorophenoxy)-3-[(4-methylphenyl)carbamoylamino]benzenesulfonic acid Traditional Name: sodium 4-(2-chlorophenoxy)-3-(p-tolylcarbamoylamino)besylic acid Formula: C20H17ClN2NaO5S+ MolecularWeight: 455.86715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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