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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(dimethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H29N3O7S MolecularWeight: 479.54656

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O7S/c1-24(2)18-4-3-17(8-19(18)25(28)29)33(30,31)23-12-21(27)32-13-20(26)22-9-14-5-15(10-22)7-16(6-14)11-22/h3-4,8,14-16,23H,5-7,9-13H2,1-2H3