[3,5-bis(trifluoromethyl)phenyl]methoxymethyl 4-methylbenzenesulfonate; piperidine

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methoxymethyl 4-methylbenzenesulfonate; piperidine Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methoxymethyl 4-methylbenzenesulfonate; piperidine CAS Name: 4-methylbenzenesulfonic acid [3,5-bis(trifluoromethyl)phenyl]methoxymethyl ester; piperidine IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methoxymethyl 4-methylbenzenesulfonate; piperidine Traditional Name: 4-methylbenzenesulfonic acid [3,5-bis(trifluoromethyl)benzyl]oxymethyl ester; piperidine Formula: C22H25F6NO4S MolecularWeight: 513.493619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCOCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.C1CCNCC1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCOCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.C1CCNCC1

InChI

InChI=1S/C17H14F6O4S.C5H11N/c1-11-2-4-15(5-3-11)28(24,25)27-10-26-9-12-6-13(16(18,19)20)8-14(7-12)17(21,22)23;1-2-4-6-5-3-1/h2-8H,9-10H2,1H3;6H,1-5H2