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

Systemtic Name: [4-[[butyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-[(2-ethoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl(o-phenetylcarbamoyl)amino]methyl]phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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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=C2OCC

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC=CC=C2OCC

InChI

InChI=1S/C21H28N2O5S/c1-4-6-15-23(16-17-11-13-18(14-12-17)28-29(3,25)26)21(24)22-19-9-7-8-10-20(19)27-5-2/h7-14H,4-6,15-16H2,1-3H3,(H,22,24)