4-methylbenzenesulfonic acid; 4-(3-morpholin-4-ylpropylsulfanyl)aniline

Systemtic Name: 4-methylbenzenesulfonic acid; 4-(3-morpholin-4-ylpropylsulfanyl)aniline Openeye Name: 4-methylbenzenesulfonic acid; 4-(3-morpholinopropylsulfanyl)aniline CAS Name: 4-methylbenzenesulfonic acid; 4-[3-(4-morpholinyl)propylthio]aniline IUPAC Name: 4-methylbenzenesulfonic acid; 4-(3-morpholin-4-ylpropylsulfanyl)aniline Traditional Name: [4-(3-morpholinopropylthio)phenyl]amine; tosylic acid Formula: C20H28N2O4S2 MolecularWeight: 424.57732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1CCCSC2=CC=C(C=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1CCCSC2=CC=C(C=C2)N

InChI

InChI=1S/C13H20N2OS.C7H8O3S/c14-12-2-4-13(5-3-12)17-11-1-6-15-7-9-16-10-8-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1,6-11,14H2;2-5H,1H3,(H,8,9,10)