4-[7,9-bis(oxidanylidene)-8-azaspiro[4.5]decan-8-yl]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[7,9-bis(oxidanylidene)-8-azaspiro[4.5]decan-8-yl]butyl 4-methylbenzenesulfonate Openeye Name: 4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl ester IUPAC Name: 4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-(7,9-diketo-8-azaspiro[4.5]decan-8-yl)butyl ester Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCN2C(=O)CC3(CCCC3)CC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCN2C(=O)CC3(CCCC3)CC2=O

InChI

InChI=1S/C20H27NO5S/c1-16-6-8-17(9-7-16)27(24,25)26-13-5-4-12-21-18(22)14-20(15-19(21)23)10-2-3-11-20/h6-9H,2-5,10-15H2,1H3