[4-[[(4-tert-butylphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-tert-butylphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-tert-butylbenzoyl)-(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-tert-butylphenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-tert-butylbenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-tert-butylbenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO5S/c1-24(2,3)20-11-9-19(10-12-20)23(26)25(17-22-6-5-15-29-22)16-18-7-13-21(14-8-18)30-31(4,27)28/h5-15H,16-17H2,1-4H3