5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-4-(phenylmethyl)sulfonyl-pyridazin-3-one

Systemtic Name: 5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-4-(phenylmethyl)sulfonyl-pyridazin-3-one Openeye Name: 4-benzylsulfonyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-pyridazin-3-one CAS Name: 5-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-methyl-4-(phenylmethyl)sulfonyl-3-pyridazinone IUPAC Name: 4-benzylsulfonyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one Traditional Name: 4-benzylsulfonyl-2-methyl-5-[(2S)-2-methylolpyrrolidino]pyridazin-3-one Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)N2CCCC2CO)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C(C=N1)N2CCC[C@H]2CO)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O4S/c1-19-17(22)16(25(23,24)12-13-6-3-2-4-7-13)15(10-18-19)20-9-5-8-14(20)11-21/h2-4,6-7,10,14,21H,5,8-9,11-12H2,1H3/t14-/m0/s1