2-chloranyl-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-3-(2-octadecoxyphenyl)-3-oxidanylidene-propanamide

Systemtic Name: 2-chloranyl-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-3-(2-octadecoxyphenyl)-3-oxidanylidene-propanamide Openeye Name: 2-chloro-3-(2-octadecoxyphenyl)-3-oxo-N-[3-(p-tolylsulfonylamino)phenyl]propanamide CAS Name: 2-chloro-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-3-(2-octadecoxyphenyl)-3-oxopropanamide IUPAC Name: 2-chloro-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-3-(2-octadecoxyphenyl)-3-oxopropanamide Traditional Name: 2-chloro-3-keto-3-(2-stearyloxyphenyl)-N-[3-(tosylamino)phenyl]propionamide Formula: C40H55ClN2O5S MolecularWeight: 711.3931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)NC2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)NC2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C40H55ClN2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-48-37-25-19-18-24-36(37)39(44)38(41)40(45)42-33-22-21-23-34(31-33)43-49(46,47)35-28-26-32(2)27-29-35/h18-19,21-29,31,38,43H,3-17,20,30H2,1-2H3,(H,42,45)