diethyl 2-[[(4-butyl-3-octylsulfonyl-phenyl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(4-butyl-3-octylsulfonyl-phenyl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[(4-butyl-3-octylsulfonyl-anilino)methylene]propanedioate CAS Name: 2-[(4-butyl-3-octylsulfonylanilino)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-butyl-3-octylsulfonylanilino)methylidene]propanedioate Traditional Name: 2-[(4-butyl-3-octylsulfonyl-anilino)methylene]malonic acid diethyl ester Formula: C26H41NO6S MolecularWeight: 495.67184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=C(C=CC(=C1)NC=C(C(=O)OCC)C(=O)OCC)CCCC

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=C(C=CC(=C1)NC=C(C(=O)OCC)C(=O)OCC)CCCC

InChI

InChI=1S/C26H41NO6S/c1-5-9-11-12-13-14-18-34(30,31)24-19-22(17-16-21(24)15-10-6-2)27-20-23(25(28)32-7-3)26(29)33-8-4/h16-17,19-20,27H,5-15,18H2,1-4H3