[3-[[2-methoxyethyl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[2-methoxyethyl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-methoxyethyl-(4-pentylbenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methoxyethyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(4-pentylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-amylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC(=CC=C2)OS(=O)(=O)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC(=CC=C2)OS(=O)(=O)C

InChI

InChI=1S/C23H31NO5S/c1-4-5-6-8-19-11-13-21(14-12-19)23(25)24(15-16-28-2)18-20-9-7-10-22(17-20)29-30(3,26)27/h7,9-14,17H,4-6,8,15-16,18H2,1-3H3