sodium 4-azanyl-2,3-bis(phenylmethyl)benzenesulfonate

Systemtic Name: sodium 4-azanyl-2,3-bis(phenylmethyl)benzenesulfonate Openeye Name: sodium 4-amino-2,3-dibenzyl-benzenesulfonate CAS Name: sodium 4-amino-2,3-bis(phenylmethyl)benzenesulfonate IUPAC Name: sodium 4-amino-2,3-dibenzylbenzenesulfonate Traditional Name: sodium 4-amino-2,3-dibenzyl-besylate Formula: C20H18NNaO3S MolecularWeight: 375.41659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2CC3=CC=CC=C3)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2CC3=CC=CC=C3)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C20H19NO3S.Na/c21-19-11-12-20(25(22,23)24)18(14-16-9-5-2-6-10-16)17(19)13-15-7-3-1-4-8-15;/h1-12H,13-14,21H2,(H,22,23,24);/q;+1/p-1