4-methylbenzenesulfonic acid; 4-(3-piperidin-1-ylpropylsulfinyl)phenol

Systemtic Name: 4-methylbenzenesulfonic acid; 4-(3-piperidin-1-ylpropylsulfinyl)phenol Openeye Name: 4-methylbenzenesulfonic acid; 4-[3-(1-piperidyl)propylsulfinyl]phenol CAS Name: 4-methylbenzenesulfonic acid; 4-[3-(1-piperidinyl)propylsulfinyl]phenol IUPAC Name: 4-methylbenzenesulfonic acid; 4-(3-piperidin-1-ylpropylsulfinyl)phenol Traditional Name: 4-(3-piperidinopropylsulfinyl)phenol; tosylic acid Formula: C21H29NO5S2 MolecularWeight: 439.58866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(CC1)CCCS(=O)C2=CC=C(C=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(CC1)CCCS(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C14H21NO2S.C7H8O3S/c16-13-5-7-14(8-6-13)18(17)12-4-11-15-9-2-1-3-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,16H,1-4,9-12H2;2-5H,1H3,(H,8,9,10)