4-[2,3-bis(ethylsulfinyl)propoxy]-N-(2-cyanoethyl)-N-hexadecyl-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: 4-[2,3-bis(ethylsulfinyl)propoxy]-N-(2-cyanoethyl)-N-hexadecyl-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: 4-[2,3-bis(ethylsulfinyl)propoxy]-N-(2-cyanoethyl)-N-hexadecyl-1-hydroxy-naphthalene-2-carboxamide CAS Name: 4-[2,3-bis(ethylsulfinyl)propoxy]-N-(2-cyanoethyl)-N-hexadecyl-1-hydroxy-2-naphthalenecarboxamide IUPAC Name: 4-[2,3-bis(ethylsulfinyl)propoxy]-N-(2-cyanoethyl)-N-hexadecyl-1-hydroxynaphthalene-2-carboxamide Traditional Name: 4-[2,3-bis(ethylsulfinyl)propoxy]-N-cetyl-N-(2-cyanoethyl)-1-hydroxy-2-naphthamide Formula: C37H58N2O5S2 MolecularWeight: 674.99682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCC#N)C(=O)C1=C(C2=CC=CC=C2C(=C1)OCC(CS(=O)CC)S(=O)CC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCC#N)C(=O)C1=C(C2=CC=CC=C2C(=C1)OCC(CS(=O)CC)S(=O)CC)O

InChI

InChI=1S/C37H58N2O5S2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-26-39(27-22-25-38)37(41)34-28-35(32-23-19-20-24-33(32)36(34)40)44-29-31(46(43)6-3)30-45(42)5-2/h19-20,23-24,28,31,40H,4-18,21-22,26-27,29-30H2,1-3H3