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

Systemtic Name: phenyl 9-(phenylsulfonyl)-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 9-(benzenesulfonyl)-3-isopropylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 9-(benzenesulfonyl)-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 9-(benzenesulfonyl)-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 9-besyl-3-isopropylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C23H29NO7S3 MolecularWeight: 527.67386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CCC2(C1)CC(CN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CCC2(C1)CC(CN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H29NO7S3/c1-18(2)32(25,26)21-13-14-23(15-21)16-22(34(29,30)31-19-9-5-3-6-10-19)17-24(23)33(27,28)20-11-7-4-8-12-20/h3-12,18,21-22H,13-17H2,1-2H3