(2S)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(1-methylsulfonylindolin-5-yl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(1-mesylindolin-5-yl)pyrrolidin-1-ium-2-carboxamide Formula: C14H20N3O3S+ MolecularWeight: 310.3919

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)NC(=O)C3CCC[NH2+]3

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)NC(=O)[C@@H]3CCC[NH2+]3

InChI

InChI=1S/C14H19N3O3S/c1-21(19,20)17-8-6-10-9-11(4-5-13(10)17)16-14(18)12-3-2-7-15-12/h4-5,9,12,15H,2-3,6-8H2,1H3,(H,16,18)/p+1/t12-/m0/s1