[4-[11-(phenylmethylsulfanyl)undecylamino]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[11-(phenylmethylsulfanyl)undecylamino]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-(11-benzylsulfanylundecylamino)phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[11-(phenylmethylthio)undecylamino]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-(11-benzylsulfanylundecylamino)phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[11-(benzylthio)undecylamino]phenyl]-pyrrolidino-methanone Formula: C29H42N2OS MolecularWeight: 466.72158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)NCCCCCCCCCCCSCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)NCCCCCCCCCCCSCC3=CC=CC=C3

InChI

InChI=1S/C29H42N2OS/c32-29(31-22-12-13-23-31)27-17-19-28(20-18-27)30-21-11-6-4-2-1-3-5-7-14-24-33-25-26-15-9-8-10-16-26/h8-10,15-20,30H,1-7,11-14,21-25H2