4-[4-[2-[[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]amino]ethyl]phenyl]sulfonyl-N-octyl-piperidine-1-carboxamide

Systemtic Name: 4-[4-[2-[[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]amino]ethyl]phenyl]sulfonyl-N-octyl-piperidine-1-carboxamide Openeye Name: 4-[4-[2-[[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]amino]ethyl]phenyl]sulfonyl-N-octyl-piperidine-1-carboxamide CAS Name: 4-[4-[2-[[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]amino]ethyl]phenyl]sulfonyl-N-octyl-1-piperidinecarboxamide IUPAC Name: 4-[4-[2-[[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]amino]ethyl]phenyl]sulfonyl-N-octylpiperidine-1-carboxamide Traditional Name: 4-[4-[2-[[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]amino]ethyl]phenyl]sulfonyl-N-octyl-piperidine-1-carboxamide Formula: C32H47N3O7S MolecularWeight: 617.79648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)N1CCC(CC1)S(=O)(=O)C2=CC=C(C=C2)CCNCC(COC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCCCCCCCNC(=O)N1CCC(CC1)S(=O)(=O)C2=CC=C(C=C2)CCNC[C@@H](COC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C32H47N3O7S/c1-2-3-4-5-6-7-17-34-32(37)35-19-15-29(16-20-35)43(38,39)28-11-8-25(9-12-28)14-18-33-22-26(36)23-40-27-10-13-30-31(21-27)42-24-41-30/h8-13,21,26,29,33,36H,2-7,14-20,22-24H2,1H3,(H,34,37)/t26-/m0/s1