2-[(E)-[[5-[6-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)hexylcarbamoyl]pyridin-2-yl]azaniumyl]iminomethyl]benzenesulfonate

Systemtic Name: 2-[(E)-[[5-[6-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)hexylcarbamoyl]pyridin-2-yl]azaniumyl]iminomethyl]benzenesulfonate Openeye Name: 2-[(E)-[[5-[6-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)hexylcarbamoyl]-2-pyridyl]ammonio]iminomethyl]benzenesulfonate CAS Name: 2-[(E)-[[5-[[6-(4-acetyl-2-ethyl-5-hydroxyphenoxy)hexylamino]-oxomethyl]-2-pyridinyl]ammonio]iminomethyl]benzenesulfonate IUPAC Name: 2-[(E)-[[5-[6-(4-acetyl-2-ethyl-5-hydroxyphenoxy)hexylcarbamoyl]pyridin-2-yl]azaniumyl]iminomethyl]benzenesulfonate Traditional Name: 2-[(E)-[[5-[6-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)hexylcarbamoyl]-2-pyridyl]ammonio]iminomethyl]besylate Formula: C29H34N4O7S MolecularWeight: 582.66786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCCCCNC(=O)C2=CN=C(C=C2)[NH2+]N=CC3=CC=CC=C3S(=O)(=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCCCCNC(=O)C2=CN=C(C=C2)[NH2+]/N=C/C3=CC=CC=C3S(=O)(=O)[O-]

InChI

InChI=1S/C29H34N4O7S/c1-3-21-16-24(20(2)34)25(35)17-26(21)40-15-9-5-4-8-14-30-29(36)23-12-13-28(31-18-23)33-32-19-22-10-6-7-11-27(22)41(37,38)39/h6-7,10-13,16-19,35H,3-5,8-9,14-15H2,1-2H3,(H,30,36)(H,31,33)(H,37,38,39)/b32-19+