[4-[[butyl-[(2,6-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl-[(2,6-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-[(2,6-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-[(2,6-dimethylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-[(2,6-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl-[(2,6-dimethylphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=C(C=CC=C2C)C

InChI

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