[2-methoxy-5-[[2-methylpropyl-[(phenylmethyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl-[(phenylmethyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[benzylcarbamoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methylpropyl-[oxo-[(phenylmethyl)amino]methyl]amino]methyl]phenyl] ester IUPAC Name: [5-[[benzylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[benzylcarbamoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)NCC2=CC=CC=C2)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H30N2O5S/c1-5-30(26,27)29-21-13-19(11-12-20(21)28-4)16-24(15-17(2)3)22(25)23-14-18-9-7-6-8-10-18/h6-13,17H,5,14-16H2,1-4H3,(H,23,25)