[4-[[butyl-[(2,4-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl-[(2,4-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-[(2,4-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-[(2,4-dimethylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-[(2,4-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl-[(2,4-dimethylphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C21H28N2O4S/c1-5-6-13-23(21(24)22-20-12-7-16(2)14-17(20)3)15-18-8-10-19(11-9-18)27-28(4,25)26/h7-12,14H,5-6,13,15H2,1-4H3,(H,22,24)