[5-[[(4-tert-butylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(4-tert-butylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-tert-butylphenyl)sulfonyl-(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[(4-tert-butylphenyl)sulfonyl-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-tert-butylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-tert-butylphenyl)sulfonyl-(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H29NO7S2 MolecularWeight: 507.61956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)CC3=CC=CO3

InChI

InChI=1S/C24H29NO7S2/c1-24(2,3)19-9-11-21(12-10-19)34(28,29)25(17-20-7-6-14-31-20)16-18-8-13-22(30-4)23(15-18)32-33(5,26)27/h6-15H,16-17H2,1-5H3