[3-[[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(2,4-dimethoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-[(2,4-dimethoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[(2,4-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(2,4-dimethoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C21H28N2O6S/c1-6-15(2)23(14-16-8-7-9-18(12-16)29-30(5,25)26)21(24)22-19-11-10-17(27-3)13-20(19)28-4/h7-13,15H,6,14H2,1-5H3,(H,22,24)