[4-[[1,3-bis(oxidanylidene)-2,4-diazaspiro[4.5]decan-2-yl]iminomethyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[[1,3-bis(oxidanylidene)-2,4-diazaspiro[4.5]decan-2-yl]iminomethyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)iminomethyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)iminomethyl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(1,3-diketo-2,4-diazaspiro[4.5]decan-2-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NN3C(=O)C4(CCCCC4)NC3=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NN3C(=O)C4(CCCCC4)NC3=O)OC

InChI

InChI=1S/C24H27N3O6S/c1-16-7-8-17(2)21(13-16)34(30,31)33-19-10-9-18(14-20(19)32-3)15-25-27-22(28)24(26-23(27)29)11-5-4-6-12-24/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,26,29)