3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-1-(4-p-phenetylsulfonylpiperazino)propan-1-one Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=CC(=N3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=CC(=N3)C)C

InChI

InChI=1S/C20H28N4O4S/c1-4-28-18-5-7-19(8-6-18)29(26,27)23-13-11-22(12-14-23)20(25)9-10-24-17(3)15-16(2)21-24/h5-8,15H,4,9-14H2,1-3H3