5-[7,9-bis(oxidanylidene)-8-azaspiro[4.5]decan-8-yl]pentyl 4-methylbenzenesulfonate

Systemtic Name: 5-[7,9-bis(oxidanylidene)-8-azaspiro[4.5]decan-8-yl]pentyl 4-methylbenzenesulfonate Openeye Name: 5-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentyl ester IUPAC Name: 5-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-(7,9-diketo-8-azaspiro[4.5]decan-8-yl)pentyl ester Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCN2C(=O)CC3(CCCC3)CC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCN2C(=O)CC3(CCCC3)CC2=O

InChI

InChI=1S/C21H29NO5S/c1-17-7-9-18(10-8-17)28(25,26)27-14-6-2-5-13-22-19(23)15-21(16-20(22)24)11-3-4-12-21/h7-10H,2-6,11-16H2,1H3