[5-[[(4-tert-butylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(4-tert-butylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-tert-butylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(4-tert-butylphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-tert-butylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-tert-butylbenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H31NO6S MolecularWeight: 449.56034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C

InChI

InChI=1S/C23H31NO6S/c1-23(2,3)19-10-8-18(9-11-19)22(25)24(13-14-28-4)16-17-7-12-20(29-5)21(15-17)30-31(6,26)27/h7-12,15H,13-14,16H2,1-6H3