sodium 2-[bis(phenylmethyl)amino]-4-chloranyl-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 2-[bis(phenylmethyl)amino]-4-chloranyl-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-chloro-2-(dibenzylamino)-5-sulfamoyl-benzenesulfonate CAS Name: sodium 2-[bis(phenylmethyl)amino]-4-chloro-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-chloro-2-(dibenzylamino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-chloro-2-(dibenzylamino)-5-sulfamoyl-besylate Formula: C20H18ClN2NaO5S2 MolecularWeight: 488.94009

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)N)Cl.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC(=C(C=C3S(=O)(=O)[O-])S(=O)(=O)N)Cl.[Na+]

InChI

InChI=1S/C20H19ClN2O5S2.Na/c21-17-11-18(20(30(26,27)28)12-19(17)29(22,24)25)23(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-12H,13-14H2,(H2,22,24,25)(H,26,27,28);/q;+1/p-1