cyclohexanamine; 1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: cyclohexanamine; 1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidine-2-carboxylic acid Openeye Name: cyclohexanamine; 5-oxo-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: cyclohexanamine; 1-(4-methylphenyl)sulfonyl-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: cyclohexanamine; 1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxylic acid Traditional Name: cyclohexylamine; 5-keto-1-tosyl-proline Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)O.C1CCC(CC1)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C12H13NO5S.C6H13N/c1-8-2-4-9(5-3-8)19(17,18)13-10(12(15)16)6-7-11(13)14;7-6-4-2-1-3-5-6/h2-5,10H,6-7H2,1H3,(H,15,16);6H,1-5,7H2