[4-(phenylsulfonyloxycarbamoyloxy)butoxycarbonylamino] benzenesulfonate

Systemtic Name: [4-(phenylsulfonyloxycarbamoyloxy)butoxycarbonylamino] benzenesulfonate Openeye Name: [4-(benzenesulfonyloxycarbamoyloxy)butoxycarbonylamino] benzenesulfonate CAS Name: benzenesulfonic acid [[4-[(benzenesulfonyloxyamino)-oxomethoxy]butoxy-oxomethyl]amino] ester IUPAC Name: [4-(benzenesulfonyloxycarbamoyloxy)butoxycarbonylamino] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(besyloxycarbamoyloxy)butoxycarbonylamino] ester Formula: C18H20N2O10S2 MolecularWeight: 488.4888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)ONC(=O)OCCCCOC(=O)NOS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)ONC(=O)OCCCCOC(=O)NOS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20N2O10S2/c21-17(19-29-31(23,24)15-9-3-1-4-10-15)27-13-7-8-14-28-18(22)20-30-32(25,26)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,19,21)(H,20,22)