3-[phenyl-[2-(phenylsulfonylamino)ethylsulfanyl]methyl]benzoic acid

Systemtic Name: 3-[phenyl-[2-(phenylsulfonylamino)ethylsulfanyl]methyl]benzoic acid Openeye Name: 3-[2-(benzenesulfonamido)ethylsulfanyl-phenyl-methyl]benzoic acid CAS Name: 3-[[2-(benzenesulfonamido)ethylthio]-phenylmethyl]benzoic acid IUPAC Name: 3-[2-(benzenesulfonamido)ethylsulfanyl-phenylmethyl]benzoic acid Traditional Name: 3-[[2-(benzenesulfonamido)ethylthio]-phenyl-methyl]benzoic acid Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC(=C2)C(=O)O)SCCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC(=C2)C(=O)O)SCCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO4S2/c24-22(25)19-11-7-10-18(16-19)21(17-8-3-1-4-9-17)28-15-14-23-29(26,27)20-12-5-2-6-13-20/h1-13,16,21,23H,14-15H2,(H,24,25)