[2-(phenylsulfonylamino)-3-(phenylsulfonyloxy)propyl] benzenesulfonate

Systemtic Name: [2-(phenylsulfonylamino)-3-(phenylsulfonyloxy)propyl] benzenesulfonate Openeye Name: [2-(benzenesulfonamido)-3-(benzenesulfonyloxy)propyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(benzenesulfonamido)-3-(benzenesulfonyloxy)propyl] ester IUPAC Name: [2-(benzenesulfonamido)-3-(benzenesulfonyloxy)propyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(benzenesulfonamido)-3-besyloxy-propyl] ester Formula: C21H21NO8S3 MolecularWeight: 511.58834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(COS(=O)(=O)C2=CC=CC=C2)COS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(COS(=O)(=O)C2=CC=CC=C2)COS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO8S3/c23-31(24,19-10-4-1-5-11-19)22-18(16-29-32(25,26)20-12-6-2-7-13-20)17-30-33(27,28)21-14-8-3-9-15-21/h1-15,18,22H,16-17H2