N-tert-butyl-3-nitro-4-[[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]benzenesulfonamide Openeye Name: N-tert-butyl-4-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C18H22N4O7S MolecularWeight: 438.45488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O7S/c1-18(2,3)20-30(28,29)14-8-9-15(16(10-14)22(26)27)19-11-17(23)12-4-6-13(7-5-12)21(24)25/h4-10,17,19-20,23H,11H2,1-3H3/t17-/m0/s1