4-[[5-phenyl-2-(sulfanylmethyl)pentanoyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[5-phenyl-2-(sulfanylmethyl)pentanoyl]amino]benzenesulfonic acid Openeye Name: 4-[[5-phenyl-2-(sulfanylmethyl)pentanoyl]amino]benzenesulfonic acid CAS Name: 4-[[2-(mercaptomethyl)-1-oxo-5-phenylpentyl]amino]benzenesulfonic acid IUPAC Name: 4-[[5-phenyl-2-(sulfanylmethyl)pentanoyl]amino]benzenesulfonic acid Traditional Name: 4-[[2-(mercaptomethyl)-5-phenyl-pentanoyl]amino]besylic acid Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CS)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CS)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C18H21NO4S2/c20-18(19-16-9-11-17(12-10-16)25(21,22)23)15(13-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12,15,24H,4,7-8,13H2,(H,19,20)(H,21,22,23)