[4-[[3-methoxypropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methoxypropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-isopropylphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methoxypropyl-[oxo-(4-propan-2-ylanilino)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methoxypropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3-methoxypropyl(p-cumenylcarbamoyl)amino]methyl]phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S/c1-17(2)19-8-10-20(11-9-19)23-22(25)24(14-5-15-28-3)16-18-6-12-21(13-7-18)29-30(4,26)27/h6-13,17H,5,14-16H2,1-4H3,(H,23,25)