[(6R,7S)-11-(4-methylphenyl)sulfonyl-5-oxidanylidene-11-azaspiro[5.5]undecan-7-yl] 4-nitrobenzoate

Systemtic Name: [(6R,7S)-11-(4-methylphenyl)sulfonyl-5-oxidanylidene-11-azaspiro[5.5]undecan-7-yl] 4-nitrobenzoate Openeye Name: [(6R,7S)-5-oxo-11-(p-tolylsulfonyl)-11-azaspiro[5.5]undecan-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(6R,7S)-11-(4-methylphenyl)sulfonyl-5-oxo-11-azaspiro[5.5]undecan-7-yl] ester IUPAC Name: [(6R,7S)-11-(4-methylphenyl)sulfonyl-5-oxo-11-azaspiro[5.5]undecan-7-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(6R,7S)-5-keto-11-tosyl-11-azaspiro[5.5]undecan-7-yl] ester Formula: C24H26N2O7S MolecularWeight: 486.53744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C23CCCCC3=O)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]([C@@]23CCCCC3=O)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N2O7S/c1-17-7-13-20(14-8-17)34(31,32)25-16-4-6-22(24(25)15-3-2-5-21(24)27)33-23(28)18-9-11-19(12-10-18)26(29)30/h7-14,22H,2-6,15-16H2,1H3/t22-,24-/m0/s1