[4-[[butyl-[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl-[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-[(3,5-dimethoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl-[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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