5-methyl-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)-4-(phenylmethyl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)-4-(phenylmethyl)-1H-pyrazol-3-one Openeye Name: 4-benzyl-5-methyl-2-(5-morpholinosulfonyl-2-pyridyl)-1H-pyrazol-3-one CAS Name: 5-methyl-2-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-4-(phenylmethyl)-1H-pyrazol-3-one IUPAC Name: 4-benzyl-5-methyl-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)-1H-pyrazol-3-one Traditional Name: 4-benzyl-5-methyl-2-(5-morpholinosulfonyl-2-pyridyl)-3-pyrazolin-3-one Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O4S/c1-15-18(13-16-5-3-2-4-6-16)20(25)24(22-15)19-8-7-17(14-21-19)29(26,27)23-9-11-28-12-10-23/h2-8,14,22H,9-13H2,1H3