sodium 4-[bis(phenylmethyl)amino]benzenesulfonate

Systemtic Name: sodium 4-[bis(phenylmethyl)amino]benzenesulfonate Openeye Name: sodium 4-(dibenzylamino)benzenesulfonate CAS Name: sodium 4-[bis(phenylmethyl)amino]benzenesulfonate IUPAC Name: sodium 4-(dibenzylamino)benzenesulfonate Traditional Name: sodium 4-(dibenzylamino)besylate Formula: C20H18NNaO3S MolecularWeight: 375.41659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO3S.Na/c22-25(23,24)20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18;/h1-14H,15-16H2,(H,22,23,24);/q;+1/p-1