4-[[2-benzamido-3-(cyanomethylamino)-3-oxidanylidene-propyl]sulfonylmethyl]benzoic acid

Systemtic Name: 4-[[2-benzamido-3-(cyanomethylamino)-3-oxidanylidene-propyl]sulfonylmethyl]benzoic acid Openeye Name: 4-[[2-benzamido-3-(cyanomethylamino)-3-oxo-propyl]sulfonylmethyl]benzoic acid CAS Name: 4-[[2-benzamido-3-(cyanomethylamino)-3-oxopropyl]sulfonylmethyl]benzoic acid IUPAC Name: 4-[[2-benzamido-3-(cyanomethylamino)-3-oxopropyl]sulfonylmethyl]benzoic acid Traditional Name: 4-[[2-benzamido-3-(cyanomethylamino)-3-keto-propyl]sulfonylmethyl]benzoic acid Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CS(=O)(=O)CC2=CC=C(C=C2)C(=O)O)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CS(=O)(=O)CC2=CC=C(C=C2)C(=O)O)C(=O)NCC#N

InChI

InChI=1S/C20H19N3O6S/c21-10-11-22-19(25)17(23-18(24)15-4-2-1-3-5-15)13-30(28,29)12-14-6-8-16(9-7-14)20(26)27/h1-9,17H,11-13H2,(H,22,25)(H,23,24)(H,26,27)