[2-methoxy-5-[[(4-pentylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[(4-pentylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isopropyl-(4-pentylbenzoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[[oxo-(4-pentylphenyl)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(4-pentylbenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-amylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C25H35NO5S MolecularWeight: 461.6141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO5S/c1-6-8-9-10-20-11-14-22(15-12-20)25(27)26(19(3)4)18-21-13-16-23(30-5)24(17-21)31-32(28,29)7-2/h11-17,19H,6-10,18H2,1-5H3