N-methoxy-1-(phenylmethyl)sulfonyl-octadecan-1-amine; propoxymethylbenzene

Systemtic Name: N-methoxy-1-(phenylmethyl)sulfonyl-octadecan-1-amine; propoxymethylbenzene Openeye Name: 1-benzylsulfonyl-N-methoxy-octadecan-1-amine; propoxymethylbenzene CAS Name: N-methoxy-1-(phenylmethyl)sulfonyl-1-octadecanamine; propoxymethylbenzene IUPAC Name: 1-benzylsulfonyl-N-methoxyoctadecan-1-amine; propoxymethylbenzene Traditional Name: 1-benzylsulfonyloctadecyl(methoxy)amine; propoxymethylbenzene Formula: C36H61NO4S MolecularWeight: 603.93884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(NOC)S(=O)(=O)CC1=CC=CC=C1.CCCOCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(NOC)S(=O)(=O)CC1=CC=CC=C1.CCCOCC1=CC=CC=C1

InChI

InChI=1S/C26H47NO3S.C10H14O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(27-30-2)31(28,29)24-25-21-18-17-19-22-25;1-2-8-11-9-10-6-4-3-5-7-10/h17-19,21-22,26-27H,3-16,20,23-24H2,1-2H3;3-7H,2,8-9H2,1H3