2-[[2-nitro-4-[3-nitro-4-[(2,2,5,5-tetramethyl-1-oxidanidyl-pyrrolidin-3-yl)amino]phenyl]sulfonyl-phenyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-nitro-4-[3-nitro-4-[(2,2,5,5-tetramethyl-1-oxidanidyl-pyrrolidin-3-yl)amino]phenyl]sulfonyl-phenyl]amino]pentanedioic acid Openeye Name: 2-[2-nitro-4-[3-nitro-4-[(2,2,5,5-tetramethyl-1-oxido-pyrrolidin-3-yl)amino]phenyl]sulfonyl-anilino]pentanedioic acid CAS Name: 2-[2-nitro-4-[3-nitro-4-[(2,2,5,5-tetramethyl-1-oxido-3-pyrrolidinyl)amino]phenyl]sulfonylanilino]pentanedioic acid IUPAC Name: 2-[2-nitro-4-[3-nitro-4-[(2,2,5,5-tetramethyl-1-oxidopyrrolidin-3-yl)amino]phenyl]sulfonylanilino]pentanedioic acid Traditional Name: 2-[2-nitro-4-[3-nitro-4-[(2,2,5,5-tetramethyl-1-oxido-pyrrolidin-3-yl)amino]phenyl]sulfonyl-anilino]glutaric acid Formula: C25H30N5O11S- MolecularWeight: 608.5976

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(N1[O-])(C)C)NC2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)NC(CCC(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(C(N1[O-])(C)C)NC2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)NC(CCC(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C25H30N5O11S/c1-24(2)13-21(25(3,4)30(24)39)27-17-8-6-15(12-20(17)29(37)38)42(40,41)14-5-7-16(19(11-14)28(35)36)26-18(23(33)34)9-10-22(31)32/h5-8,11-12,18,21,26-27H,9-10,13H2,1-4H3,(H,31,32)(H,33,34)/q-1