1-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(2-methyl-5-pyrrolidinosulfonyl-benzoyl)proline Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C17H22N2O5S/c1-12-6-7-13(25(23,24)18-8-2-3-9-18)11-14(12)16(20)19-10-4-5-15(19)17(21)22/h6-7,11,15H,2-5,8-10H2,1H3,(H,21,22)