4-[[2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]benzenesulfonic acid Openeye Name: 4-[[2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]benzenesulfonic acid CAS Name: 4-[[2-(mercaptomethyl)-3-(4-methoxyphenyl)-1-oxopropyl]amino]benzenesulfonic acid IUPAC Name: 4-[[2-[(4-methoxyphenyl)methyl]-3-sulfanylpropanoyl]amino]benzenesulfonic acid Traditional Name: 4-[[2-(mercaptomethyl)-3-(4-methoxyphenyl)propanoyl]amino]besylic acid Formula: C17H19NO5S2 MolecularWeight: 381.46646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C17H19NO5S2/c1-23-15-6-2-12(3-7-15)10-13(11-24)17(19)18-14-4-8-16(9-5-14)25(20,21)22/h2-9,13,24H,10-11H2,1H3,(H,18,19)(H,20,21,22)