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

Systemtic Name: [3-[[2-methoxyethyl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl-(4-pentylbenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(4-pentylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-amylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C24H33NO5S MolecularWeight: 447.58752

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO5S/c1-4-6-7-9-20-12-14-22(15-13-20)24(26)25(16-17-29-3)19-21-10-8-11-23(18-21)30-31(27,28)5-2/h8,10-15,18H,4-7,9,16-17,19H2,1-3H3