1-[3,5-dimethyl-1-[3-(3-methylphenoxy)propyl]pyrazol-4-yl]sulfonyl-4-methyl-piperidine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)CCCOC3=CC=CC(=C3)C)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)CCCOC3=CC=CC(=C3)C)C

InChI

InChI=1S/C21H31N3O3S/c1-16-9-12-23(13-10-16)28(25,26)21-18(3)22-24(19(21)4)11-6-14-27-20-8-5-7-17(2)15-20/h5,7-8,15-16H,6,9-14H2,1-4H3