2-[4-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid Traditional Name: 2-[4-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]phenyl]acetic acid Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5S2/c26-22(27)11-15-5-8-18(9-6-15)24-23(28)21-13-19(31)14-25(21)32(29,30)20-10-7-16-3-1-2-4-17(16)12-20/h1-10,12,19,21,31H,11,13-14H2,(H,24,28)(H,26,27)