N-[2-chloranyl-4-[(4-cyanophenyl)carbamoylamino]-5-oxidanyl-phenyl]-2-hexadecylsulfonyl-hexanamide

Systemtic Name: N-[2-chloranyl-4-[(4-cyanophenyl)carbamoylamino]-5-oxidanyl-phenyl]-2-hexadecylsulfonyl-hexanamide Openeye Name: N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-phenyl]-2-hexadecylsulfonyl-hexanamide CAS Name: N-[2-chloro-4-[[(4-cyanoanilino)-oxomethyl]amino]-5-hydroxyphenyl]-2-hexadecylsulfonylhexanamide IUPAC Name: N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxyphenyl]-2-hexadecylsulfonylhexanamide Traditional Name: 2-cetylsulfonyl-N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-phenyl]hexanamide Formula: C36H53ClN4O5S MolecularWeight: 689.34782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C(CCCC)C(=O)NC1=CC(=C(C=C1Cl)NC(=O)NC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C(CCCC)C(=O)NC1=CC(=C(C=C1Cl)NC(=O)NC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C36H53ClN4O5S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24-47(45,46)34(19-6-4-2)35(43)40-31-26-33(42)32(25-30(31)37)41-36(44)39-29-22-20-28(27-38)21-23-29/h20-23,25-26,34,42H,3-19,24H2,1-2H3,(H,40,43)(H2,39,41,44)