phenyl 2-[(phenylmethyl)-(phenylsulfonyl)amino]ethanesulfonate

Systemtic Name: phenyl 2-[(phenylmethyl)-(phenylsulfonyl)amino]ethanesulfonate Openeye Name: phenyl 2-[benzenesulfonyl(benzyl)amino]ethanesulfonate CAS Name: 2-[benzenesulfonyl-(phenylmethyl)amino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[benzenesulfonyl(benzyl)amino]ethanesulfonate Traditional Name: 2-[benzyl(besyl)amino]ethanesulfonic acid phenyl ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCS(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CCS(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S2/c23-28(24,27-20-12-6-2-7-13-20)17-16-22(18-19-10-4-1-5-11-19)29(25,26)21-14-8-3-9-15-21/h1-15H,16-18H2