N-[2-oxidanyl-5-[1-oxidanyl-2-[6-(4-phenylbutoxy)hex-3-ynylamino]ethyl]phenyl]methanesulfonamide

Systemtic Name: N-[2-oxidanyl-5-[1-oxidanyl-2-[6-(4-phenylbutoxy)hex-3-ynylamino]ethyl]phenyl]methanesulfonamide Openeye Name: N-[2-hydroxy-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hex-3-ynylamino]ethyl]phenyl]methanesulfonamide CAS Name: N-[2-hydroxy-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hex-3-ynylamino]ethyl]phenyl]methanesulfonamide IUPAC Name: N-[2-hydroxy-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hex-3-ynylamino]ethyl]phenyl]methanesulfonamide Traditional Name: N-[2-hydroxy-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hex-3-ynylamino]ethyl]phenyl]methanesulfonamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)C(CNCCC#CCCOCCCCC2=CC=CC=C2)O)O

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C(CNCCC#CCCOCCCCC2=CC=CC=C2)O)O

InChI

InChI=1S/C25H34N2O5S/c1-33(30,31)27-23-19-22(14-15-24(23)28)25(29)20-26-16-8-2-3-9-17-32-18-10-7-13-21-11-5-4-6-12-21/h4-6,11-12,14-15,19,25-29H,7-10,13,16-18,20H2,1H3