pentyl 8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decane-3-carboxylate

Systemtic Name: pentyl 8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decane-3-carboxylate Openeye Name: pentyl 8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decane-3-carboxylate CAS Name: 8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decane-3-carboxylic acid pentyl ester IUPAC Name: pentyl 8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decane-3-carboxylate Traditional Name: 8-(2,5-dimethylphenyl)sulfonyl-3,8-diazaspiro[4.5]decane-3-carboxylic acid amyl ester Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N1CCC2(C1)CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCCOC(=O)N1CCC2(C1)CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H34N2O4S/c1-4-5-6-15-28-21(25)23-12-9-22(17-23)10-13-24(14-11-22)29(26,27)20-16-18(2)7-8-19(20)3/h7-8,16H,4-6,9-15,17H2,1-3H3