N,N-diethyl-2-(hexadecylsulfonylamino)-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide

Systemtic Name: N,N-diethyl-2-(hexadecylsulfonylamino)-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide Openeye Name: N,N-diethyl-2-(hexadecylsulfonylamino)-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide CAS Name: N,N-diethyl-2-(hexadecylsulfonylamino)-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide IUPAC Name: N,N-diethyl-2-(hexadecylsulfonylamino)-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide Traditional Name: 2-(cetylsulfonylamino)-N,N-diethyl-4-keto-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide Formula: C33H51N5O4S MolecularWeight: 613.85414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=NC(=O)N2C=C(C(=C2N1)C(=O)N(CC)CC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=NC(=O)N2C=C(C(=C2N1)C(=O)N(CC)CC)C3=CC=CC=C3

InChI

InChI=1S/C33H51N5O4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-25-43(41,42)36-32-34-30-29(31(39)37(5-2)6-3)28(26-38(30)33(40)35-32)27-23-20-19-21-24-27/h19-21,23-24,26H,4-18,22,25H2,1-3H3,(H2,34,35,36,40)