[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CNS(=O)(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CNS(=O)(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O7S/c21-16-2-1-15(6-17(16)23(26)27)31(28,29)22-10-19(25)30-11-18(24)20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,12-14,22H,3-5,7-11,21H2