4-methylbenzenesulfonic acid; 4-(2-methyl-3-morpholin-4-yl-propyl)sulfanylphenol

Systemtic Name: 4-methylbenzenesulfonic acid; 4-(2-methyl-3-morpholin-4-yl-propyl)sulfanylphenol Openeye Name: 4-methylbenzenesulfonic acid; 4-(2-methyl-3-morpholino-propyl)sulfanylphenol CAS Name: 4-methylbenzenesulfonic acid; 4-[[2-methyl-3-(4-morpholinyl)propyl]thio]phenol IUPAC Name: 4-methylbenzenesulfonic acid; 4-(2-methyl-3-morpholin-4-ylpropyl)sulfanylphenol Traditional Name: 4-[(2-methyl-3-morpholino-propyl)thio]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.CC(CN1CCOCC1)CSC2=CC=C(C=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(CN1CCOCC1)CSC2=CC=C(C=C2)O

InChI

InChI=1S/C14H21NO2S.C7H8O3S/c1-12(10-15-6-8-17-9-7-15)11-18-14-4-2-13(16)3-5-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,12,16H,6-11H2,1H3;2-5H,1H3,(H,8,9,10)