4-(2,3-dimorpholin-4-ylpropylsulfanyl)phenol; methanesulfonic acid

Systemtic Name: 4-(2,3-dimorpholin-4-ylpropylsulfanyl)phenol; methanesulfonic acid Openeye Name: 4-(2,3-dimorpholinopropylsulfanyl)phenol; methanesulfonic acid CAS Name: 4-[2,3-bis(4-morpholinyl)propylthio]phenol; methanesulfonic acid IUPAC Name: 4-(2,3-dimorpholin-4-ylpropylsulfanyl)phenol; methanesulfonic acid Traditional Name: 4-(2,3-dimorpholinopropylthio)phenol; mesylic acid Formula: C18H30N2O6S2 MolecularWeight: 434.5706

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1COCCN1CC(CSC2=CC=C(C=C2)O)N3CCOCC3

Isomeric SMILES

CS(=O)(=O)O.C1COCCN1CC(CSC2=CC=C(C=C2)O)N3CCOCC3

InChI

InChI=1S/C17H26N2O3S.CH4O3S/c20-16-1-3-17(4-2-16)23-14-15(19-7-11-22-12-8-19)13-18-5-9-21-10-6-18;1-5(2,3)4/h1-4,15,20H,5-14H2;1H3,(H,2,3,4)