4-(azepan-1-ylsulfonyl)-N-[(6-methoxypyridin-3-yl)methyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(6-methoxypyridin-3-yl)methyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(6-methoxy-3-pyridyl)methyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(6-methoxypyridin-3-yl)methyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[(6-methoxy-3-pyridyl)methyl]amine Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=NC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5S/c1-28-19-9-6-15(14-21-19)13-20-17-8-7-16(12-18(17)23(24)25)29(26,27)22-10-4-2-3-5-11-22/h6-9,12,14,20H,2-5,10-11,13H2,1H3