[3-[[(3-ethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(3-ethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(3-ethylphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(3-ethylanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3-ethylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(3-ethylphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC(C)C

InChI

InChI=1S/C21H28N2O4S/c1-5-17-8-6-10-19(12-17)22-21(24)23(14-16(2)3)15-18-9-7-11-20(13-18)27-28(4,25)26/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)