1-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-[4-[(1-ethyl-3-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-[4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperazino]-3-tosyl-propan-1-one Formula: C20H28N4O5S2 MolecularWeight: 468.59012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H28N4O5S2/c1-4-23-15-19(17(3)21-23)31(28,29)24-12-10-22(11-13-24)20(25)9-14-30(26,27)18-7-5-16(2)6-8-18/h5-8,15H,4,9-14H2,1-3H3