3-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 3-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]benzoic acid Traditional Name: 3-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]benzoic acid Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CN(C1C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C22H20N2O5S2/c25-21(23-17-7-3-6-16(10-17)22(26)27)20-12-18(30)13-24(20)31(28,29)19-9-8-14-4-1-2-5-15(14)11-19/h1-11,18,20,30H,12-13H2,(H,23,25)(H,26,27)