[3-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl-[(3-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(3-methoxyanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl-[(3-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)NC2=CC(=CC=C2)OC

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C21H28N2O5S/c1-5-29(25,26)28-20-11-6-8-17(12-20)15-23(14-16(2)3)21(24)22-18-9-7-10-19(13-18)27-4/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)