phenyl 3,9-bis(propan-2-ylsulfonyl)-9-azaspiro[4.4]nonane-7-sulfonate

Systemtic Name: phenyl 3,9-bis(propan-2-ylsulfonyl)-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 3,9-bis(isopropylsulfonyl)-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 3,9-bis(propan-2-ylsulfonyl)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 3,9-bis(propan-2-ylsulfonyl)-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 3,9-bis(isopropylsulfonyl)-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C20H31NO7S3 MolecularWeight: 493.65764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CCC2(C1)CC(CN2S(=O)(=O)C(C)C)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1CCC2(C1)CC(CN2S(=O)(=O)C(C)C)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H31NO7S3/c1-15(2)29(22,23)18-10-11-20(12-18)13-19(14-21(20)30(24,25)16(3)4)31(26,27)28-17-8-6-5-7-9-17/h5-9,15-16,18-19H,10-14H2,1-4H3