[2-methoxy-5-[[2-methoxyethyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methoxyethyl-(1-oxo-2-phenylbutyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-5-[[2-methoxyethyl(2-phenylbutanoyl)amino]methyl]phenyl] ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N(CCOC)CC2=CC(=C(C=C2)OC)OS(=O)(=O)C

InChI

InChI=1S/C22H29NO6S/c1-5-19(18-9-7-6-8-10-18)22(24)23(13-14-27-2)16-17-11-12-20(28-3)21(15-17)29-30(4,25)26/h6-12,15,19H,5,13-14,16H2,1-4H3