2-[(4-nitrophenyl)sulfonyl-[2-(4-nitrophenyl)sulfonyloxyethyl]amino]ethyl 4-nitrobenzenesulfonate

Systemtic Name: 2-[(4-nitrophenyl)sulfonyl-[2-(4-nitrophenyl)sulfonyloxyethyl]amino]ethyl 4-nitrobenzenesulfonate Openeye Name: 2-[(4-nitrophenyl)sulfonyl-[2-(4-nitrophenyl)sulfonyloxyethyl]amino]ethyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 2-[(4-nitrophenyl)sulfonyl-[2-(4-nitrophenyl)sulfonyloxyethyl]amino]ethyl ester IUPAC Name: 2-[(4-nitrophenyl)sulfonyl-[2-(4-nitrophenyl)sulfonyloxyethyl]amino]ethyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid 2-[nosyl(2-nosyloxyethyl)amino]ethyl ester Formula: C22H20N4O14S3 MolecularWeight: 660.6076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N(CCOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N(CCOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O14S3/c27-24(28)17-1-7-20(8-2-17)41(33,34)23(13-15-39-42(35,36)21-9-3-18(4-10-21)25(29)30)14-16-40-43(37,38)22-11-5-19(6-12-22)26(31)32/h1-12H,13-16H2