3,4-dihydro-2H-chromen-2-ylmethanamine; 1-(2-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 3,4-dihydro-2H-chromen-2-ylmethanamine; 1-(2-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Openeye Name: chroman-2-ylmethanamine; 1-(o-tolylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 3,4-dihydro-2H-1-benzopyran-2-ylmethanamine; 1-(2-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 3,4-dihydro-2H-chromen-2-ylmethanamine; 1-(2-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: chroman-2-ylmethylamine; 1-(o-tolylsulfonyl)proline Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2CCCC2C(=O)O.C1CC2=CC=CC=C2OC1CN

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCCC2C(=O)O.C1CC2=CC=CC=C2OC1CN

InChI

InChI=1S/C12H15NO4S.C10H13NO/c1-9-5-2-3-7-11(9)18(16,17)13-8-4-6-10(13)12(14)15;11-7-9-6-5-8-3-1-2-4-10(8)12-9/h2-3,5,7,10H,4,6,8H2,1H3,(H,14,15);1-4,9H,5-7,11H2