(5-butyl-10-oxidanylidene-11-azaspiro[5.5]undecan-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-butyl-10-oxidanylidene-11-azaspiro[5.5]undecan-4-yl) 4-methylbenzenesulfonate Openeye Name: (5-butyl-10-oxo-11-azaspiro[5.5]undecan-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-butyl-10-oxo-11-azaspiro[5.5]undecan-4-yl) ester IUPAC Name: (5-butyl-10-oxo-11-azaspiro[5.5]undecan-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-butyl-10-keto-11-azaspiro[5.5]undecan-4-yl) ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(CCCC12CCCC(=O)N2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1C(CCCC12CCCC(=O)N2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H31NO4S/c1-3-4-7-18-19(8-5-14-21(18)15-6-9-20(23)22-21)26-27(24,25)17-12-10-16(2)11-13-17/h10-13,18-19H,3-9,14-15H2,1-2H3,(H,22,23)