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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(2-imidazol-1-yl-3-pyridyl)methyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[[2-(1-imidazolyl)-3-pyridinyl]methyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[(2-imidazol-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=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=C(N=CC=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

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