4-morpholin-4-ylsulfonyl-2-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline

Systemtic Name: 4-morpholin-4-ylsulfonyl-2-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline Openeye Name: 4-morpholinosulfonyl-2-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline CAS Name: 4-(4-morpholinylsulfonyl)-2-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline IUPAC Name: 4-morpholin-4-ylsulfonyl-2-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline Traditional Name: (4-morpholinosulfonyl-2-nitro-phenyl)-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amine Formula: C17H18N6O5S MolecularWeight: 418.42702

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCC3=NN=C4N3C=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCC3=NN=C4N3C=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O5S/c24-23(25)15-11-13(29(26,27)21-7-9-28-10-8-21)4-5-14(15)18-12-17-20-19-16-3-1-2-6-22(16)17/h1-6,11,18H,7-10,12H2