4-[[2-(naphthalen-1-ylmethyl)-3-sulfanyl-propanoyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[2-(naphthalen-1-ylmethyl)-3-sulfanyl-propanoyl]amino]benzenesulfonic acid Openeye Name: 4-[[2-(1-naphthylmethyl)-3-sulfanyl-propanoyl]amino]benzenesulfonic acid CAS Name: 4-[[2-(mercaptomethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]benzenesulfonic acid IUPAC Name: 4-[[2-(naphthalen-1-ylmethyl)-3-sulfanylpropanoyl]amino]benzenesulfonic acid Traditional Name: 4-[[2-(mercaptomethyl)-3-(1-naphthyl)propanoyl]amino]besylic acid Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(CS)C(=O)NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(CS)C(=O)NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C20H19NO4S2/c22-20(21-17-8-10-18(11-9-17)27(23,24)25)16(13-26)12-15-6-3-5-14-4-1-2-7-19(14)15/h1-11,16,26H,12-13H2,(H,21,22)(H,23,24,25)