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

Systemtic Name: 3,4-dihydro-2H-chromen-2-ylmethanamine; 1-(4-methylphenyl)sulfonylsulfonylpyrrolidine-2-carboxylic acid Openeye Name: chroman-2-ylmethanamine; 1-(p-tolylsulfonylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 3,4-dihydro-2H-1-benzopyran-2-ylmethanamine; 1-(4-methylphenyl)sulfonylsulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 3,4-dihydro-2H-chromen-2-ylmethanamine; 1-(4-methylphenyl)sulfonylsulfonylpyrrolidine-2-carboxylic acid Traditional Name: chroman-2-ylmethylamine; 1-tosylsulfonylproline Formula: C22H28N2O7S2 MolecularWeight: 496.59692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)S(=O)(=O)N2CCCC2C(=O)O.C1CC2=CC=CC=C2OC1CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)S(=O)(=O)N2CCCC2C(=O)O.C1CC2=CC=CC=C2OC1CN

InChI

InChI=1S/C12H15NO6S2.C10H13NO/c1-9-4-6-10(7-5-9)20(16,17)21(18,19)13-8-2-3-11(13)12(14)15;11-7-9-6-5-8-3-1-2-4-10(8)12-9/h4-7,11H,2-3,8H2,1H3,(H,14,15);1-4,9H,5-7,11H2