sodium 4-chloranyl-2-[(2-methoxyphenyl)methylamino]-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 4-chloranyl-2-[(2-methoxyphenyl)methylamino]-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-chloro-2-[(2-methoxyphenyl)methylamino]-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-chloro-2-[(2-methoxyphenyl)methylamino]-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-chloro-2-[(2-methoxyphenyl)methylamino]-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-chloro-2-(o-anisylamino)-5-sulfamoyl-besylate Formula: C14H14ClN2NaO6S2 MolecularWeight: 428.84353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=CC(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)N)Cl.[Na+]

Isomeric SMILES

COC1=CC=CC=C1CNC2=CC(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)N)Cl.[Na+]

InChI

InChI=1S/C14H15ClN2O6S2.Na/c1-23-12-5-3-2-4-9(12)8-17-11-6-10(15)13(24(16,18)19)7-14(11)25(20,21)22;/h2-7,17H,8H2,1H3,(H2,16,18,19)(H,20,21,22);/q;+1/p-1