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

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

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=C(N(N=C3C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=C(N(N=C3C)C)C)[N+](=O)[O-]

InChI

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