1-[1-[3-(2,5-dimethylphenoxy)propyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine

Systemtic Name: 1-[1-[3-(2,5-dimethylphenoxy)propyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine Openeye Name: 1-[1-[3-(2,5-dimethylphenoxy)propyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine CAS Name: 1-[[1-[3-(2,5-dimethylphenoxy)propyl]-3,5-dimethyl-4-pyrazolyl]sulfonyl]piperidine IUPAC Name: 1-[1-[3-(2,5-dimethylphenoxy)propyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine Traditional Name: 1-[1-[3-(2,5-dimethylphenoxy)propyl]-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine Formula: C21H31N3O3S MolecularWeight: 405.55414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3S/c1-16-9-10-17(2)20(15-16)27-14-8-13-24-19(4)21(18(3)22-24)28(25,26)23-11-6-5-7-12-23/h9-10,15H,5-8,11-14H2,1-4H3