2-chloranyl-3-(2-hexadecoxyphenyl)-N-(2-methoxy-5-methylsulfonyl-phenyl)-3-oxidanylidene-propanamide

Systemtic Name: 2-chloranyl-3-(2-hexadecoxyphenyl)-N-(2-methoxy-5-methylsulfonyl-phenyl)-3-oxidanylidene-propanamide Openeye Name: 2-chloro-3-(2-hexadecoxyphenyl)-N-(2-methoxy-5-methylsulfonyl-phenyl)-3-oxo-propanamide CAS Name: 2-chloro-3-(2-hexadecoxyphenyl)-N-(2-methoxy-5-methylsulfonylphenyl)-3-oxopropanamide IUPAC Name: 2-chloro-3-(2-hexadecoxyphenyl)-N-(2-methoxy-5-methylsulfonylphenyl)-3-oxopropanamide Traditional Name: 3-(2-cetyloxyphenyl)-2-chloro-3-keto-N-(5-mesyl-2-methoxy-phenyl)propionamide Formula: C33H48ClNO6S MolecularWeight: 622.25532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)OC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)OC)Cl

InChI

InChI=1S/C33H48ClNO6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-41-29-21-18-17-20-27(29)32(36)31(34)33(37)35-28-25-26(42(3,38)39)22-23-30(28)40-2/h17-18,20-23,25,31H,4-16,19,24H2,1-3H3,(H,35,37)