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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]aniline CAS Name: 4-(1-azepanylsulfonyl)-2-nitro-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]aniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[(2-pyrazol-1-yl-3-pyridyl)methyl]amine Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=C(N=CC=C3)N4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=C(N=CC=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4S/c28-27(29)20-15-18(32(30,31)25-12-3-1-2-4-13-25)8-9-19(20)23-16-17-7-5-10-22-21(17)26-14-6-11-24-26/h5-11,14-15,23H,1-4,12-13,16H2