3-[(2S)-2-aminocarbonylpyrrolidin-1-yl]sulfonyl-4-methyl-benzoate

Systemtic Name: 3-[(2S)-2-aminocarbonylpyrrolidin-1-yl]sulfonyl-4-methyl-benzoate Openeye Name: 3-[(2S)-2-carbamoylpyrrolidin-1-yl]sulfonyl-4-methyl-benzoate CAS Name: 3-[[(2S)-2-carbamoyl-1-pyrrolidinyl]sulfonyl]-4-methylbenzoate IUPAC Name: 3-[(2S)-2-carbamoylpyrrolidin-1-yl]sulfonyl-4-methylbenzoate Traditional Name: 3-[(2S)-2-carbamoylpyrrolidino]sulfonyl-4-methyl-benzoate Formula: C13H15N2O5S- MolecularWeight: 311.3336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)N2CCCC2C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)N2CCC[C@H]2C(=O)N

InChI

InChI=1S/C13H16N2O5S/c1-8-4-5-9(13(17)18)7-11(8)21(19,20)15-6-2-3-10(15)12(14)16/h4-5,7,10H,2-3,6H2,1H3,(H2,14,16)(H,17,18)/p-1/t10-/m0/s1