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

Systemtic Name: (3S)-1-[1-(4-butoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonyl-3-methyl-piperidine Openeye Name: (3S)-1-[1-(4-butoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonyl-3-methyl-piperidine CAS Name: (3S)-1-[[1-(4-butoxyphenyl)sulfonyl-3,5-dimethyl-4-pyrazolyl]sulfonyl]-3-methylpiperidine IUPAC Name: (3S)-1-[1-(4-butoxyphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]sulfonyl-3-methylpiperidine Traditional Name: (3S)-1-[1-(4-butoxyphenyl)sulfonyl-3,5-dimethyl-pyrazol-4-yl]sulfonyl-3-methyl-piperidine Formula: C21H31N3O5S2 MolecularWeight: 469.61794

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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)N3CCCC(C3)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCC[C@@H](C3)C)C

InChI

InChI=1S/C21H31N3O5S2/c1-5-6-14-29-19-9-11-20(12-10-19)30(25,26)24-18(4)21(17(3)22-24)31(27,28)23-13-7-8-16(2)15-23/h9-12,16H,5-8,13-15H2,1-4H3/t16-/m0/s1