2-nitro-4-piperidin-1-ylsulfonyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]aniline

Systemtic Name: 2-nitro-4-piperidin-1-ylsulfonyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]aniline Openeye Name: 2-nitro-4-(1-piperidylsulfonyl)-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]aniline CAS Name: 2-nitro-4-(1-piperidinylsulfonyl)-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]aniline IUPAC Name: 2-nitro-4-piperidin-1-ylsulfonyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]aniline Traditional Name: (2-nitro-4-piperidinosulfonyl-phenyl)-[(2-pyrazol-1-yl-3-pyridyl)methyl]amine Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=C(N=CC=C3)N4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=C(N=CC=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O4S/c27-26(28)19-14-17(31(29,30)24-11-2-1-3-12-24)7-8-18(19)22-15-16-6-4-9-21-20(16)25-13-5-10-23-25/h4-10,13-14,22H,1-3,11-12,15H2