methyl 2-methylbenzenesulfonate; phenyl-[2-(3-piperidin-1-ylpropoxy)phenyl]methanol

Systemtic Name: methyl 2-methylbenzenesulfonate; phenyl-[2-(3-piperidin-1-ylpropoxy)phenyl]methanol Openeye Name: methyl 2-methylbenzenesulfonate; phenyl-[2-[3-(1-piperidyl)propoxy]phenyl]methanol CAS Name: 2-methylbenzenesulfonic acid methyl ester; phenyl-[2-[3-(1-piperidinyl)propoxy]phenyl]methanol IUPAC Name: methyl 2-methylbenzenesulfonate; phenyl-[2-(3-piperidin-1-ylpropoxy)phenyl]methanol Traditional Name: 2-methylbenzenesulfonic acid methyl ester; phenyl-[2-(3-piperidinopropoxy)phenyl]methanol Formula: C29H37NO5S MolecularWeight: 511.67278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OC.C1CCN(CC1)CCCOC2=CC=CC=C2C(C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OC.C1CCN(CC1)CCCOC2=CC=CC=C2C(C3=CC=CC=C3)O

InChI

InChI=1S/C21H27NO2.C8H10O3S/c23-21(18-10-3-1-4-11-18)19-12-5-6-13-20(19)24-17-9-16-22-14-7-2-8-15-22;1-7-5-3-4-6-8(7)12(9,10)11-2/h1,3-6,10-13,21,23H,2,7-9,14-17H2;3-6H,1-2H3