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

Systemtic Name: 5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]-2-methyl-4-(phenylmethyl)sulfonyl-pyridazin-3-one Openeye Name: 4-benzylsulfonyl-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]-2-methyl-pyridazin-3-one CAS Name: 5-[(2S)-2-(chloromethyl)-1-pyrrolidinyl]-2-methyl-4-(phenylmethyl)sulfonyl-3-pyridazinone IUPAC Name: 4-benzylsulfonyl-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one Traditional Name: 4-benzylsulfonyl-5-[(2S)-2-(chloromethyl)pyrrolidino]-2-methyl-pyridazin-3-one Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)N2CCCC2CCl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3S/c1-20-17(22)16(25(23,24)12-13-6-3-2-4-7-13)15(11-19-20)21-9-5-8-14(21)10-18/h2-4,6-7,11,14H,5,8-10,12H2,1H3/t14-/m0/s1