phenyl 11-methylsulfanyl-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate

Systemtic Name: phenyl 11-methylsulfanyl-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate Openeye Name: phenyl 4-isopropylsulfonyl-11-methylsulfanyl-11-azaspiro[5.5]undecane-10-sulfonate CAS Name: 11-(methylthio)-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester IUPAC Name: phenyl 11-methylsulfanyl-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate Traditional Name: 4-isopropylsulfonyl-11-(methylthio)-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester Formula: C20H31NO5S3 MolecularWeight: 461.65884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CCCC2(C1)CCCC(N2SC)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1CCCC2(C1)CCCC(N2SC)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H31NO5S3/c1-16(2)28(22,23)18-11-7-13-20(15-18)14-8-12-19(21(20)27-3)29(24,25)26-17-9-5-4-6-10-17/h4-6,9-10,16,18-19H,7-8,11-15H2,1-3H3