1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazino]propan-1-one Formula: C20H28N4O3S MolecularWeight: 404.52632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H28N4O3S/c1-3-24-16-18(17(2)21-24)15-22-10-12-23(13-11-22)20(25)9-14-28(26,27)19-7-5-4-6-8-19/h4-8,16H,3,9-15H2,1-2H3