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

Systemtic Name: [3-[[(4-pentylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl-(4-pentylbenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[oxo-(4-pentylphenyl)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-pentylbenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-amylbenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO4S/c1-5-7-8-10-20-13-15-22(16-14-20)24(26)25(19(3)4)18-21-11-9-12-23(17-21)29-30(27,28)6-2/h9,11-17,19H,5-8,10,18H2,1-4H3