4-[11-(phenylmethylsulfanyl)undecylamino]benzoic acid

Systemtic Name: 4-[11-(phenylmethylsulfanyl)undecylamino]benzoic acid Openeye Name: 4-(11-benzylsulfanylundecylamino)benzoic acid CAS Name: 4-[11-(phenylmethylthio)undecylamino]benzoic acid IUPAC Name: 4-(11-benzylsulfanylundecylamino)benzoic acid Traditional Name: 4-[11-(benzylthio)undecylamino]benzoic acid Formula: C25H35NO2S MolecularWeight: 413.6159

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C25H35NO2S/c27-25(28)23-15-17-24(18-16-23)26-19-11-6-4-2-1-3-5-7-12-20-29-21-22-13-9-8-10-14-22/h8-10,13-18,26H,1-7,11-12,19-21H2,(H,27,28)