6-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[4-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazino]-2H-1,2,4-triazine-3,5-quinone Formula: C17H21N7O7S MolecularWeight: 467.45634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C4=NNC(=O)NC4=O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C4=NNC(=O)NC4=O

InChI

InChI=1S/C17H21N7O7S/c25-16-15(19-20-17(26)18-16)22-5-3-21(4-6-22)13-2-1-12(11-14(13)24(27)28)32(29,30)23-7-9-31-10-8-23/h1-2,11H,3-10H2,(H2,18,20,25,26)