N,N-diethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)benzenesulfonamide Formula: C17H20N6O4S MolecularWeight: 404.4435

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=NN=C3N2C=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=NN=C3N2C=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4S/c1-3-21(4-2)28(26,27)13-8-9-14(15(11-13)23(24)25)18-12-17-20-19-16-7-5-6-10-22(16)17/h5-11,18H,3-4,12H2,1-2H3