4-methylbenzenesulfonic acid; 3-methylsulfanyl-N-[[4-(phenylmethyl)morpholin-2-yl]methyl]aniline

Systemtic Name: 4-methylbenzenesulfonic acid; 3-methylsulfanyl-N-[[4-(phenylmethyl)morpholin-2-yl]methyl]aniline Openeye Name: N-[(4-benzylmorpholin-2-yl)methyl]-3-methylsulfanyl-aniline; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 3-(methylthio)-N-[[4-(phenylmethyl)-2-morpholinyl]methyl]aniline IUPAC Name: N-[(4-benzylmorpholin-2-yl)methyl]-3-methylsulfanylaniline; 4-methylbenzenesulfonic acid Traditional Name: (4-benzylmorpholin-2-yl)methyl-[3-(methylthio)phenyl]amine; tosylic acid Formula: C26H32N2O4S2 MolecularWeight: 500.67328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CSC1=CC=CC(=C1)NCC2CN(CCO2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CSC1=CC=CC(=C1)NCC2CN(CCO2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N2OS.C7H8O3S/c1-23-19-9-5-8-17(12-19)20-13-18-15-21(10-11-22-18)14-16-6-3-2-4-7-16;1-6-2-4-7(5-3-6)11(8,9)10/h2-9,12,18,20H,10-11,13-15H2,1H3;2-5H,1H3,(H,8,9,10)