4-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzenesulfonic acid Openeye Name: 4-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzenesulfonic acid CAS Name: 4-[[2-(mercaptomethyl)-4-methyl-1-oxopentyl]amino]benzenesulfonic acid IUPAC Name: 4-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzenesulfonic acid Traditional Name: 4-[[2-(mercaptomethyl)-4-methyl-pentanoyl]amino]besylic acid Formula: C13H19NO4S2 MolecularWeight: 317.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CS)C(=O)NC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)CC(CS)C(=O)NC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H19NO4S2/c1-9(2)7-10(8-19)13(15)14-11-3-5-12(6-4-11)20(16,17)18/h3-6,9-10,19H,7-8H2,1-2H3,(H,14,15)(H,16,17,18)