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

Systemtic Name: 4-methylbenzenesulfonic acid; N-[[4-(phenylmethyl)morpholin-2-yl]methyl]-2-phenylsulfanyl-aniline Openeye Name: N-[(4-benzylmorpholin-2-yl)methyl]-2-phenylsulfanyl-aniline; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; N-[[4-(phenylmethyl)-2-morpholinyl]methyl]-2-(phenylthio)aniline IUPAC Name: N-[(4-benzylmorpholin-2-yl)methyl]-2-phenylsulfanylaniline; 4-methylbenzenesulfonic acid Traditional Name: (4-benzylmorpholin-2-yl)methyl-[2-(phenylthio)phenyl]amine; tosylic acid Formula: C31H34N2O4S2 MolecularWeight: 562.74266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1COC(CN1CC2=CC=CC=C2)CNC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1COC(CN1CC2=CC=CC=C2)CNC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C24H26N2OS.C7H8O3S/c1-3-9-20(10-4-1)18-26-15-16-27-21(19-26)17-25-23-13-7-8-14-24(23)28-22-11-5-2-6-12-22;1-6-2-4-7(5-3-6)11(8,9)10/h1-14,21,25H,15-19H2;2-5H,1H3,(H,8,9,10)