[4-[[butyl-[(3,4-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl-[(3,4-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-[(3,4-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-[(3,4-dimethylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-[(3,4-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl-[(3,4-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=CC(=C(C=C2)C)C

Isomeric SMILES

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

InChI

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