N-(3-methoxy-2-phenylmethoxy-propyl)-1-(phenylmethyl)sulfonyl-octadecan-1-amine

Systemtic Name: N-(3-methoxy-2-phenylmethoxy-propyl)-1-(phenylmethyl)sulfonyl-octadecan-1-amine Openeye Name: N-(2-benzyloxy-3-methoxy-propyl)-1-benzylsulfonyl-octadecan-1-amine CAS Name: N-(3-methoxy-2-phenylmethoxypropyl)-1-(phenylmethyl)sulfonyl-1-octadecanamine IUPAC Name: 1-benzylsulfonyl-N-(3-methoxy-2-phenylmethoxypropyl)octadecan-1-amine Traditional Name: (2-benzoxy-3-methoxy-propyl)-(1-benzylsulfonyloctadecyl)amine Formula: C36H59NO4S MolecularWeight: 601.92296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(NCC(COC)OCC1=CC=CC=C1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(NCC(COC)OCC1=CC=CC=C1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C36H59NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-36(42(38,39)32-34-26-21-18-22-27-34)37-29-35(31-40-2)41-30-33-24-19-17-20-25-33/h17-22,24-27,35-37H,3-16,23,28-32H2,1-2H3