(2S,3S)-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]-3-methyl-valeric acid Formula: C13H17ClN2O5S MolecularWeight: 348.80248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O5S/c1-3-7(2)11(13(18)19)16-12(17)8-4-5-9(14)10(6-8)22(15,20)21/h4-7,11H,3H2,1-2H3,(H,16,17)(H,18,19)(H2,15,20,21)/t7-,11-/m0/s1