6-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]-s-triazin-2-yl]-phenyl-amine Formula: C20H21N7O6S MolecularWeight: 487.48904

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O6S/c21-19-23-18(24-20(25-19)22-14-4-2-1-3-5-14)13-33-17-7-6-15(12-16(17)27(28)29)34(30,31)26-8-10-32-11-9-26/h1-7,12H,8-11,13H2,(H3,21,22,23,24,25)