N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,3,5-trimethyl-pyrazol-4-amine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,3,5-trimethyl-pyrazol-4-amine Openeye Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,3,5-trimethyl-pyrazol-4-amine CAS Name: N-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1,3,5-trimethyl-4-pyrazolamine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-1,3,5-trimethylpyrazol-4-amine Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(1,3,5-trimethylpyrazol-4-yl)amine Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4S/c1-13-18(14(2)21(3)20-13)19-16-9-8-15(12-17(16)23(24)25)28(26,27)22-10-6-4-5-7-11-22/h8-9,12,19H,4-7,10-11H2,1-3H3