1-[1-(4-butoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine

Systemtic Name: 1-[1-(4-butoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine Openeye Name: 1-[1-(4-butoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine CAS Name: 1-[[1-(4-butoxyphenyl)sulfonyl-3,5-dimethyl-4-pyrazolyl]sulfonyl]piperidine IUPAC Name: 1-[1-(4-butoxyphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine Traditional Name: 1-[1-(4-butoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine Formula: C20H29N3O5S2 MolecularWeight: 455.59136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C20H29N3O5S2/c1-4-5-15-28-18-9-11-19(12-10-18)29(24,25)23-17(3)20(16(2)21-23)30(26,27)22-13-7-6-8-14-22/h9-12H,4-8,13-15H2,1-3H3