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

Systemtic Name: [5-[[(4-tert-butylphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-tert-butylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(4-tert-butylphenyl)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-tert-butylbenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-tert-butylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C23H31NO5S MolecularWeight: 433.56094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H31NO5S/c1-16(2)24(22(25)18-9-11-19(12-10-18)23(3,4)5)15-17-8-13-20(28-6)21(14-17)29-30(7,26)27/h8-14,16H,15H2,1-7H3