(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(naphthalen-2-ylsulfonylamino)butanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(naphthalen-2-ylsulfonylamino)butanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(2-naphthylsulfonylamino)butanoate CAS Name: 4-(2-naphthalenylsulfonylamino)butanoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(naphthalen-2-ylsulfonylamino)butanoate Traditional Name: 4-(2-naphthylsulfonylamino)butyric acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C24H24N6O4S MolecularWeight: 492.55016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H24N6O4S/c25-23-28-21(29-24(30-23)27-19-9-2-1-3-10-19)16-34-22(31)11-6-14-26-35(32,33)20-13-12-17-7-4-5-8-18(17)15-20/h1-5,7-10,12-13,15,26H,6,11,14,16H2,(H3,25,27,28,29,30)