[4-[[[(2S)-butan-2-yl]-[(2-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-[(2-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-ethoxyphenyl)carbamoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-[(2-ethoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-[(2-ethoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[(1S)-1-methylpropyl]-(o-phenetylcarbamoyl)amino]methyl]phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC=CC=C2OCC

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC=CC=C2OCC

InChI

InChI=1S/C21H28N2O5S/c1-5-16(3)23(15-17-11-13-18(14-12-17)28-29(4,25)26)21(24)22-19-9-7-8-10-20(19)27-6-2/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)/t16-/m0/s1