N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1-methyl-pyrazol-3-amine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1-methyl-pyrazol-3-amine Openeye Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1-methyl-pyrazol-3-amine CAS Name: N-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-methyl-3-pyrazolamine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-1-methylpyrazol-3-amine Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(1-methylpyrazol-3-yl)amine Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC(=N1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O4S/c1-19-11-8-16(18-19)17-14-7-6-13(12-15(14)21(22)23)26(24,25)20-9-4-2-3-5-10-20/h6-8,11-12H,2-5,9-10H2,1H3,(H,17,18)