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

Systemtic Name: [5-[[(4-hexylphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-hexylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(4-hexylphenyl)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-hexylbenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-hexylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C25H35NO5S MolecularWeight: 461.6141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)C(C)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)C(C)C

InChI

InChI=1S/C25H35NO5S/c1-6-7-8-9-10-20-11-14-22(15-12-20)25(27)26(19(2)3)18-21-13-16-23(30-4)24(17-21)31-32(5,28)29/h11-17,19H,6-10,18H2,1-5H3