1-butyl-1-(2,4-dimethylphenoxy)-6-ethylsulfonyl-9-oxidanyl-3-azaspiro[3.5]nona-6,8-dien-2-one

Systemtic Name: 1-butyl-1-(2,4-dimethylphenoxy)-6-ethylsulfonyl-9-oxidanyl-3-azaspiro[3.5]nona-6,8-dien-2-one Openeye Name: 1-butyl-1-(2,4-dimethylphenoxy)-6-ethylsulfonyl-9-hydroxy-3-azaspiro[3.5]nona-6,8-dien-2-one CAS Name: 1-butyl-1-(2,4-dimethylphenoxy)-6-ethylsulfonyl-9-hydroxy-3-azaspiro[3.5]nona-6,8-dien-2-one IUPAC Name: 1-butyl-1-(2,4-dimethylphenoxy)-6-ethylsulfonyl-9-hydroxy-3-azaspiro[3.5]nona-6,8-dien-2-one Traditional Name: 1-butyl-1-(2,4-dimethylphenoxy)-6-esyl-9-hydroxy-3-azaspiro[3.5]nona-6,8-dien-2-one Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC12CC(=CC=C2O)S(=O)(=O)CC)OC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCCC1(C(=O)NC12CC(=CC=C2O)S(=O)(=O)CC)OC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C22H29NO5S/c1-5-7-12-22(28-18-10-8-15(3)13-16(18)4)20(25)23-21(22)14-17(9-11-19(21)24)29(26,27)6-2/h8-11,13,24H,5-7,12,14H2,1-4H3,(H,23,25)