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1-[(2-cyano-4-methylsulfonyl-phenyl)amino]-3-octadecyl-urea

1-[(2-cyano-4-methylsulfonyl-phenyl)amino]-3-octadecyl-urea

Systemtic Name:1-[(2-cyano-4-methylsulfonyl-phenyl)amino]-3-octadecyl-urea
Openeye Name:1-(2-cyano-4-methylsulfonyl-anilino)-3-octadecyl-urea
CAS Name:1-(2-cyano-4-methylsulfonylanilino)-3-octadecylurea
IUPAC Name:1-(2-cyano-4-methylsulfonylanilino)-3-octadecylurea
Traditional Name:1-(2-cyano-4-mesyl-anilino)-3-stearyl-urea
Formula: C27H46N4O3S
MolecularWeight: 506.74414
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)NNC1=C(C=C(C=C1)S(=O)(=O)C)C#N


Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)NNC1=C(C=C(C=C1)S(=O)(=O)C)C#N


InChI

InChI=1S/C27H46N4O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-27(32)31-30-26-20-19-25(35(2,33)34)22-24(26)23-28/h19-20,22,30H,3-18,21H2,1-2H3,(H2,29,31,32)


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