(3,4-diethoxyphenyl)-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]methanone

Systemtic Name: (3,4-diethoxyphenyl)-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]methanone Openeye Name: (3,4-diethoxyphenyl)-[3,5-dimethyl-4-[(4-methyl-1-piperidyl)sulfonyl]pyrazol-1-yl]methanone CAS Name: (3,4-diethoxyphenyl)-[3,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-pyrazolyl]methanone IUPAC Name: (3,4-diethoxyphenyl)-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone Traditional Name: (3,4-diethoxyphenyl)-[3,5-dimethyl-4-(4-methylpiperidino)sulfonyl-pyrazol-1-yl]methanone Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCC(CC3)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCC(CC3)C)C)OCC

InChI

InChI=1S/C22H31N3O5S/c1-6-29-19-9-8-18(14-20(19)30-7-2)22(26)25-17(5)21(16(4)23-25)31(27,28)24-12-10-15(3)11-13-24/h8-9,14-15H,6-7,10-13H2,1-5H3