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

Systemtic Name: [4-[[2-methoxyethyl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-methoxyethyl-(4-pentylbenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-methoxyethyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl-(4-pentylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(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=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5S/c1-4-5-6-7-19-8-12-21(13-9-19)23(25)24(16-17-28-2)18-20-10-14-22(15-11-20)29-30(3,26)27/h8-15H,4-7,16-18H2,1-3H3