[3-[[butan-2-yl-(4-hexylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[butan-2-yl-(4-hexylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-hexylbenzoyl)-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-[(4-hexylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(4-hexylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-hexylbenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C25H35NO4S MolecularWeight: 445.6147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO4S/c1-5-7-8-9-11-21-14-16-23(17-15-21)25(27)26(20(3)6-2)19-22-12-10-13-24(18-22)30-31(4,28)29/h10,12-18,20H,5-9,11,19H2,1-4H3