[4-[[(4-tert-butylphenyl)carbonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-tert-butylphenyl)carbonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-tert-butylbenzoyl)-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-tert-butylphenyl)-oxomethyl]-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-tert-butylbenzoyl)-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-tert-butylbenzoyl)-(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C23H31NO5S MolecularWeight: 433.56094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C23H31NO5S/c1-23(2,3)20-11-9-19(10-12-20)22(25)24(15-6-16-28-4)17-18-7-13-21(14-8-18)29-30(5,26)27/h7-14H,6,15-17H2,1-5H3