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

Systemtic Name: [2-methoxy-5-[[(phenylmethyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[benzylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[[oxo-[(phenylmethyl)amino]methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [5-[[benzylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[benzylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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