4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-(2-nitrophenyl)sulfonyl-piperidine

Systemtic Name: 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-(2-nitrophenyl)sulfonyl-piperidine Openeye Name: 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-(2-nitrophenyl)sulfonyl-piperidine CAS Name: 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-(2-nitrophenyl)sulfonylpiperidine IUPAC Name: 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-(2-nitrophenyl)sulfonylpiperidine Traditional Name: 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-(2-nitrophenyl)sulfonyl-piperidine Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c1-30-17-8-6-15(7-9-17)18-14-19(23-22-18)16-10-12-24(13-11-16)31(28,29)21-5-3-2-4-20(21)25(26)27/h2-9,14,16H,10-13H2,1H3,(H,22,23)