[1-phenyl-3-(phenylsulfonylamino)propan-2-yl] benzenesulfonate

Systemtic Name: [1-phenyl-3-(phenylsulfonylamino)propan-2-yl] benzenesulfonate Openeye Name: [1-(benzenesulfonamidomethyl)-2-phenyl-ethyl] benzenesulfonate CAS Name: benzenesulfonic acid [1-(benzenesulfonamido)-3-phenylpropan-2-yl] ester IUPAC Name: [1-(benzenesulfonamido)-3-phenylpropan-2-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-(benzenesulfonamidomethyl)-2-phenyl-ethyl] ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CNS(=O)(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(CNS(=O)(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3

InChI

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