[5-[[(4-butoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(4-butoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-butoxybenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(4-butoxyphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-butoxybenzoyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-butoxybenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C25H35NO6S MolecularWeight: 477.6135

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC)CC(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC)CC(C)C

InChI

InChI=1S/C25H35NO6S/c1-6-8-15-31-22-12-10-21(11-13-22)25(27)26(17-19(3)4)18-20-9-14-23(30-5)24(16-20)32-33(28,29)7-2/h9-14,16,19H,6-8,15,17-18H2,1-5H3