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

Systemtic Name: [2-methoxy-5-[[(phenylmethyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[benzylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [5-[[benzylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O5S/c1-15(2)22(20(23)21-13-16-8-6-5-7-9-16)14-17-10-11-18(26-3)19(12-17)27-28(4,24)25/h5-12,15H,13-14H2,1-4H3,(H,21,23)