N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H23N5O5S/c1-16-8-9-17(14-21(16)33(31,32)25-11-3-2-4-12-25)23-22(28)20-10-13-26(24-20)18-6-5-7-19(15-18)27(29)30/h5-10,13-15H,2-4,11-12H2,1H3,(H,23,28)