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

Systemtic Name: 2-nitro-4-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline Openeye Name: 2-nitro-4-(1-piperidylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline CAS Name: 2-nitro-4-(1-piperidinylsulfonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline IUPAC Name: 2-nitro-4-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline Traditional Name: (2-nitro-4-piperidinosulfonyl-phenyl)-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amine Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=NN=C4N3C=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=NN=C4N3C=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O4S/c25-24(26)16-12-14(29(27,28)22-9-3-1-4-10-22)7-8-15(16)19-13-18-21-20-17-6-2-5-11-23(17)18/h2,5-8,11-12,19H,1,3-4,9-10,13H2