methanesulfonic acid; 2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine

Systemtic Name: methanesulfonic acid; 2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine Openeye Name: methanesulfonic acid; 2,4,6,7-tetramethyl-2-[(4-phenyl-1-piperidyl)methyl]-3H-benzofuran-5-amine CAS Name: methanesulfonic acid; 2,4,6,7-tetramethyl-2-[(4-phenyl-1-piperidinyl)methyl]-3H-benzofuran-5-amine IUPAC Name: methanesulfonic acid; 2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine Traditional Name: mesylic acid; [2,4,6,7-tetramethyl-2-[(4-phenylpiperidino)methyl]coumaran-5-yl]amine Formula: C26H40N2O7S2 MolecularWeight: 556.735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC(OC2=C1C)(C)CN3CCC(CC3)C4=CC=CC=C4)C)N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C(=C2CC(OC2=C1C)(C)CN3CCC(CC3)C4=CC=CC=C4)C)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C24H32N2O.2CH4O3S/c1-16-17(2)23-21(18(3)22(16)25)14-24(4,27-23)15-26-12-10-20(11-13-26)19-8-6-5-7-9-19;2*1-5(2,3)4/h5-9,20H,10-15,25H2,1-4H3;2*1H3,(H,2,3,4)