2-[bis(phenylmethyl)amino]-4-chloranyl-5-sulfamoyl-benzoic acid

Systemtic Name: 2-[bis(phenylmethyl)amino]-4-chloranyl-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-2-(dibenzylamino)-5-sulfamoyl-benzoic acid CAS Name: 2-[bis(phenylmethyl)amino]-4-chloro-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-2-(dibenzylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-2-(dibenzylamino)-5-sulfamoyl-benzoic acid Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC(=C(C=C3C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC(=C(C=C3C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C21H19ClN2O4S/c22-18-12-19(17(21(25)26)11-20(18)29(23,27)28)24(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,25,26)(H2,23,27,28)