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

Systemtic Name: 4-[[2-[(4-methylphenyl)methyl]-3-sulfanyl-propanoyl]amino]benzenesulfonic acid Openeye Name: 4-[[2-(p-tolylmethyl)-3-sulfanyl-propanoyl]amino]benzenesulfonic acid CAS Name: 4-[[2-(mercaptomethyl)-3-(4-methylphenyl)-1-oxopropyl]amino]benzenesulfonic acid IUPAC Name: 4-[[2-[(4-methylphenyl)methyl]-3-sulfanylpropanoyl]amino]benzenesulfonic acid Traditional Name: 4-[[2-(mercaptomethyl)-3-(p-tolyl)propanoyl]amino]besylic acid Formula: C17H19NO4S2 MolecularWeight: 365.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C17H19NO4S2/c1-12-2-4-13(5-3-12)10-14(11-23)17(19)18-15-6-8-16(9-7-15)24(20,21)22/h2-9,14,23H,10-11H2,1H3,(H,18,19)(H,20,21,22)