(phenylmethyl) 3-azanyl-2-(phenylmethyl)benzenesulfonate

Systemtic Name: (phenylmethyl) 3-azanyl-2-(phenylmethyl)benzenesulfonate Openeye Name: benzyl 3-amino-2-benzyl-benzenesulfonate CAS Name: 3-amino-2-(phenylmethyl)benzenesulfonic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-2-benzylbenzenesulfonate Traditional Name: 3-amino-2-benzyl-benzenesulfonic acid benzyl ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC=C2S(=O)(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC=C2S(=O)(=O)OCC3=CC=CC=C3)N

InChI

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