1-[1-[3-(3,5-dimethylphenoxy)propyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine

Systemtic Name: 1-[1-[3-(3,5-dimethylphenoxy)propyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine Openeye Name: 1-[1-[3-(3,5-dimethylphenoxy)propyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine CAS Name: 1-[[1-[3-(3,5-dimethylphenoxy)propyl]-3,5-dimethyl-4-pyrazolyl]sulfonyl]piperidine IUPAC Name: 1-[1-[3-(3,5-dimethylphenoxy)propyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine Traditional Name: 1-[1-[3-(3,5-dimethylphenoxy)propyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCN2C(=C(C(=N2)C)S(=O)(=O)N3CCCCC3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCN2C(=C(C(=N2)C)S(=O)(=O)N3CCCCC3)C)C

InChI

InChI=1S/C21H31N3O3S/c1-16-13-17(2)15-20(14-16)27-12-8-11-24-19(4)21(18(3)22-24)28(25,26)23-9-6-5-7-10-23/h13-15H,5-12H2,1-4H3