[(5S,6S)-10-(4-methylphenyl)sulfonyl-4-oxidanylidene-10-azaspiro[4.5]decan-6-yl] 4-nitrobenzoate

Systemtic Name: [(5S,6S)-10-(4-methylphenyl)sulfonyl-4-oxidanylidene-10-azaspiro[4.5]decan-6-yl] 4-nitrobenzoate Openeye Name: [(5S,6S)-4-oxo-10-(p-tolylsulfonyl)-10-azaspiro[4.5]decan-6-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(5S,6S)-10-(4-methylphenyl)sulfonyl-4-oxo-10-azaspiro[4.5]decan-6-yl] ester IUPAC Name: [(5S,6S)-10-(4-methylphenyl)sulfonyl-4-oxo-10-azaspiro[4.5]decan-6-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(5S,6S)-4-keto-10-tosyl-10-azaspiro[4.5]decan-6-yl] ester Formula: C23H24N2O7S MolecularWeight: 472.51086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C23CCCC3=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@]23CCCC3=O)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O7S/c1-16-6-12-19(13-7-16)33(30,31)24-15-3-5-21(23(24)14-2-4-20(23)26)32-22(27)17-8-10-18(11-9-17)25(28)29/h6-13,21H,2-5,14-15H2,1H3/t21-,23+/m0/s1