3-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]-(phenylmethyl)sulfamoyl]benzoic acid

Systemtic Name: 3-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]-(phenylmethyl)sulfamoyl]benzoic acid Openeye Name: 3-[benzyl-[(1S)-1-carboxy-2-methyl-propyl]sulfamoyl]benzoic acid CAS Name: 3-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-(phenylmethyl)sulfamoyl]benzoic acid IUPAC Name: 3-[benzyl-[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]benzoic acid Traditional Name: 3-[benzyl-[(1S)-1-carboxy-2-methyl-propyl]sulfamoyl]benzoic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H21NO6S/c1-13(2)17(19(23)24)20(12-14-7-4-3-5-8-14)27(25,26)16-10-6-9-15(11-16)18(21)22/h3-11,13,17H,12H2,1-2H3,(H,21,22)(H,23,24)/t17-/m0/s1