(2S)-N'-(1,3-benzodioxol-5-ylcarbonyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carbohydrazide

Systemtic Name: (2S)-N'-(1,3-benzodioxol-5-ylcarbonyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carbohydrazide Openeye Name: (2S)-N'-(1,3-benzodioxole-5-carbonyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carbohydrazide CAS Name: (2S)-N'-[1,3-benzodioxol-5-yl(oxo)methyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarbohydrazide IUPAC Name: (2S)-N'-(1,3-benzodioxole-5-carbonyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbohydrazide Traditional Name: (2S)-N'-piperonyloyl-1-tosyl-pyrrolidine-2-carbohydrazide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O6S/c1-13-4-7-15(8-5-13)30(26,27)23-10-2-3-16(23)20(25)22-21-19(24)14-6-9-17-18(11-14)29-12-28-17/h4-9,11,16H,2-3,10,12H2,1H3,(H,21,24)(H,22,25)/t16-/m0/s1