(2S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]propanoic acid CAS Name: (2S)-2-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoic acid Traditional Name: (2S)-2-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]propionic acid Formula: C14H17ClN2O5S MolecularWeight: 360.81318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C14H17ClN2O5S/c1-9(14(19)20)16-13(18)10-4-5-11(15)12(8-10)23(21,22)17-6-2-3-7-17/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,18)(H,19,20)/t9-/m0/s1