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

Systemtic Name: 1,3,5-trimethyl-N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)pyrazol-4-amine Openeye Name: 1,3,5-trimethyl-N-[2-nitro-4-(1-piperidylsulfonyl)phenyl]pyrazol-4-amine CAS Name: 1,3,5-trimethyl-N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-4-pyrazolamine IUPAC Name: 1,3,5-trimethyl-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrazol-4-amine Traditional Name: (2-nitro-4-piperidinosulfonyl-phenyl)-(1,3,5-trimethylpyrazol-4-yl)amine Formula: C17H23N5O4S MolecularWeight: 393.46062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O4S/c1-12-17(13(2)20(3)19-12)18-15-8-7-14(11-16(15)22(23)24)27(25,26)21-9-5-4-6-10-21/h7-8,11,18H,4-6,9-10H2,1-3H3