morpholine-3,5-dione; 6-piperidin-1-ylhexyl 4-methylbenzenesulfonate

Systemtic Name: morpholine-3,5-dione; 6-piperidin-1-ylhexyl 4-methylbenzenesulfonate Openeye Name: morpholine-3,5-dione; 6-(1-piperidyl)hexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-(1-piperidinyl)hexyl ester; morpholine-3,5-dione IUPAC Name: morpholine-3,5-dione; 6-piperidin-1-ylhexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 6-piperidinohexyl ester; morpholine-3,5-quinone Formula: C22H34N2O6S MolecularWeight: 454.58016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCN2CCCCC2.C1C(=O)NC(=O)CO1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCN2CCCCC2.C1C(=O)NC(=O)CO1

InChI

InChI=1S/C18H29NO3S.C4H5NO3/c1-17-9-11-18(12-10-17)23(20,21)22-16-8-3-2-5-13-19-14-6-4-7-15-19;6-3-1-8-2-4(7)5-3/h9-12H,2-8,13-16H2,1H3;1-2H2,(H,5,6,7)