4-[4-[[[(2S)-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-[[[(2S)-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylbenzamide Openeye Name: 4-[[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]-1-piperidyl]sulfonyl]benzamide CAS Name: 4-[[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]-1-piperidinyl]sulfonyl]benzamide IUPAC Name: 4-[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylbenzamide Traditional Name: 4-[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]piperidino]sulfonylbenzamide Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNCC(COC2=CC=C(C=C2)O)O)S(=O)(=O)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1CN(CCC1CNC[C@@H](COC2=CC=C(C=C2)O)O)S(=O)(=O)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H29N3O6S/c23-22(28)17-1-7-21(8-2-17)32(29,30)25-11-9-16(10-12-25)13-24-14-19(27)15-31-20-5-3-18(26)4-6-20/h1-8,16,19,24,26-27H,9-15H2,(H2,23,28)/t19-/m0/s1