N-[4-[4-[[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]piperidin-1-yl]phenyl]octane-1-sulfonamide

Systemtic Name: N-[4-[4-[[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]piperidin-1-yl]phenyl]octane-1-sulfonamide Openeye Name: N-[4-[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]-1-piperidyl]phenyl]octane-1-sulfonamide CAS Name: N-[4-[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]-1-piperidinyl]phenyl]-1-octanesulfonamide IUPAC Name: N-[4-[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]piperidin-1-yl]phenyl]octane-1-sulfonamide Traditional Name: N-[4-[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]piperidino]phenyl]octane-1-sulfonamide Formula: C28H43N3O5S MolecularWeight: 533.72312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)N2CCC(CC2)NCC(COC3=CC=C(C=C3)O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)N2CCC(CC2)NCC(COC3=CC=C(C=C3)O)O

InChI

InChI=1S/C28H43N3O5S/c1-2-3-4-5-6-7-20-37(34,35)30-24-8-10-25(11-9-24)31-18-16-23(17-19-31)29-21-27(33)22-36-28-14-12-26(32)13-15-28/h8-15,23,27,29-30,32-33H,2-7,16-22H2,1H3