[1-[2-[1-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]ethoxy]ethoxy]ethoxycarbonylamino] 3-nitrobenzenesulfonate

Systemtic Name: [1-[2-[1-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]ethoxy]ethoxy]ethoxycarbonylamino] 3-nitrobenzenesulfonate Openeye Name: [1-[2-[1-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]ethoxy]ethoxy]ethoxycarbonylamino] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [[1-[2-[1-[[(3-nitrophenyl)sulfonyloxyamino]-oxomethoxy]ethoxy]ethoxy]ethoxy-oxomethyl]amino] ester IUPAC Name: [1-[2-[1-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]ethoxy]ethoxy]ethoxycarbonylamino] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [1-[2-[1-[(3-nitrophenyl)sulfonyloxycarbamoyloxy]ethoxy]ethoxy]ethoxycarbonylamino] ester Formula: C20H22N4O16S2 MolecularWeight: 638.53588

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Descriptors Computed from Structure

Canonical SMILES:

CC(OCCOC(C)OC(=O)NOS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])OC(=O)NOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(OCCOC(C)OC(=O)NOS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])OC(=O)NOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O16S2/c1-13(37-19(25)21-39-41(31,32)17-7-3-5-15(11-17)23(27)28)35-9-10-36-14(2)38-20(26)22-40-42(33,34)18-8-4-6-16(12-18)24(29)30/h3-8,11-14H,9-10H2,1-2H3,(H,21,25)(H,22,26)