1,3,5-trimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]pyrazol-4-amine

Systemtic Name: 1,3,5-trimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]pyrazol-4-amine Openeye Name: 1,3,5-trimethyl-N-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]pyrazol-4-amine CAS Name: 1,3,5-trimethyl-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-4-pyrazolamine IUPAC Name: 1,3,5-trimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]pyrazol-4-amine Traditional Name: [4-(4-methylpiperidino)sulfonyl-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:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=C(N(N=C3C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=C(N(N=C3C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4S/c1-12-7-9-22(10-8-12)28(26,27)15-5-6-16(17(11-15)23(24)25)19-18-13(2)20-21(4)14(18)3/h5-6,11-12,19H,7-10H2,1-4H3