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

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H23N5O6S/c1-33-20-10-5-17(13-21(20)34(31,32)25-11-3-2-4-12-25)24-22(28)16-14-23-26(15-16)18-6-8-19(9-7-18)27(29)30/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,28)