[2-oxidanyl-5-[1-oxidanyl-2-[6-(3-phenylpropylsulfanyl)hexylamino]ethyl]phenyl]sulfamoylmethyl benzoate

Systemtic Name: [2-oxidanyl-5-[1-oxidanyl-2-[6-(3-phenylpropylsulfanyl)hexylamino]ethyl]phenyl]sulfamoylmethyl benzoate Openeye Name: [2-hydroxy-5-[1-hydroxy-2-[6-(3-phenylpropylsulfanyl)hexylamino]ethyl]phenyl]sulfamoylmethyl benzoate CAS Name: benzoic acid [2-hydroxy-5-[1-hydroxy-2-[6-(3-phenylpropylthio)hexylamino]ethyl]phenyl]sulfamoylmethyl ester IUPAC Name: [2-hydroxy-5-[1-hydroxy-2-[6-(3-phenylpropylsulfanyl)hexylamino]ethyl]phenyl]sulfamoylmethyl benzoate Traditional Name: benzoic acid [2-hydroxy-5-[1-hydroxy-2-[6-(3-phenylpropylthio)hexylamino]ethyl]phenyl]sulfamoylmethyl ester Formula: C31H40N2O6S2 MolecularWeight: 600.7891

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSCCCCCCNCC(C2=CC(=C(C=C2)O)NS(=O)(=O)COC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CCCSCCCCCCNCC(C2=CC(=C(C=C2)O)NS(=O)(=O)COC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C31H40N2O6S2/c34-29-18-17-27(22-28(29)33-41(37,38)24-39-31(36)26-15-7-4-8-16-26)30(35)23-32-19-9-1-2-10-20-40-21-11-14-25-12-5-3-6-13-25/h3-8,12-13,15-18,22,30,32-35H,1-2,9-11,14,19-21,23-24H2