2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-hexadecoxy-5-(propanoylsulfamoyl)phenyl]-3-oxidanylidene-butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-hexadecoxy-5-(propanoylsulfamoyl)phenyl]-3-oxidanylidene-butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-[2-hexadecoxy-5-(propanoylsulfamoyl)phenyl]-3-oxo-butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-[2-hexadecoxy-5-(1-oxopropylsulfamoyl)phenyl]-3-oxobutanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[2-hexadecoxy-5-(propanoylsulfamoyl)phenyl]-3-oxobutanamide Traditional Name: N-[2-cetyloxy-5-(propionylsulfamoyl)phenyl]-3-keto-2-phthalimido-butyramide Formula: C37H51N3O8S MolecularWeight: 697.88114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC(=O)CC)NC(=O)C(C(=O)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC(=O)CC)NC(=O)C(C(=O)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C37H51N3O8S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-25-48-32-24-23-28(49(46,47)39-33(42)5-2)26-31(32)38-35(43)34(27(3)41)40-36(44)29-21-18-19-22-30(29)37(40)45/h18-19,21-24,26,34H,4-17,20,25H2,1-3H3,(H,38,43)(H,39,42)