4-(azepan-1-ylsulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-methyl-[(1-methylpyrazol-4-yl)methyl]amine Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O4S/c1-20(13-15-12-19-21(2)14-15)17-8-7-16(11-18(17)23(24)25)28(26,27)22-9-5-3-4-6-10-22/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3