1-(1-phenylethylsulfonyl)pyrrolidine-2-sulfonic acid

Systemtic Name: 1-(1-phenylethylsulfonyl)pyrrolidine-2-sulfonic acid Openeye Name: 1-(1-phenylethylsulfonyl)pyrrolidine-2-sulfonic acid CAS Name: 1-(1-phenylethylsulfonyl)-2-pyrrolidinesulfonic acid IUPAC Name: 1-(1-phenylethylsulfonyl)pyrrolidine-2-sulfonic acid Traditional Name: 1-(1-phenylethylsulfonyl)pyrrolidine-2-sulfonic acid Formula: C12H17NO5S2 MolecularWeight: 319.39708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)S(=O)(=O)N2CCCC2S(=O)(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)S(=O)(=O)N2CCCC2S(=O)(=O)O

InChI

InChI=1S/C12H17NO5S2/c1-10(11-6-3-2-4-7-11)19(14,15)13-9-5-8-12(13)20(16,17)18/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,16,17,18)