1,5-dimethyl-2-phenyl-4-piperidin-1-ylsulfonyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-piperidin-1-ylsulfonyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-(1-piperidylsulfonyl)pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(1-piperidinylsulfonyl)-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-piperidin-1-ylsulfonylpyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-piperidinosulfonyl-3-pyrazolin-3-one Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C16H21N3O3S/c1-13-15(23(21,22)18-11-7-4-8-12-18)16(20)19(17(13)2)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3