2-chloranyl-N-(5-ethylsulfonyl-2-hexadecoxy-phenyl)-4,4-dimethyl-3-oxidanylidene-pentanamide

Systemtic Name: 2-chloranyl-N-(5-ethylsulfonyl-2-hexadecoxy-phenyl)-4,4-dimethyl-3-oxidanylidene-pentanamide Openeye Name: 2-chloro-N-(5-ethylsulfonyl-2-hexadecoxy-phenyl)-4,4-dimethyl-3-oxo-pentanamide CAS Name: 2-chloro-N-(5-ethylsulfonyl-2-hexadecoxyphenyl)-4,4-dimethyl-3-oxopentanamide IUPAC Name: 2-chloro-N-(5-ethylsulfonyl-2-hexadecoxyphenyl)-4,4-dimethyl-3-oxopentanamide Traditional Name: N-(2-cetyloxy-5-esyl-phenyl)-2-chloro-3-keto-4,4-dimethyl-valeramide Formula: C31H52ClNO5S MolecularWeight: 586.26628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)CC)NC(=O)C(C(=O)C(C)(C)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)CC)NC(=O)C(C(=O)C(C)(C)C)Cl

InChI

InChI=1S/C31H52ClNO5S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-38-27-22-21-25(39(36,37)7-2)24-26(27)33-30(35)28(32)29(34)31(3,4)5/h21-22,24,28H,6-20,23H2,1-5H3,(H,33,35)