4-[[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]carbamoyl]benzoic acid Openeye Name: 4-[[2-naphthylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]carbamoyl]benzoic acid CAS Name: 4-[[[(4-mercapto-2-pyrrolidinyl)-(2-naphthalenylsulfonyl)methyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]carbamoyl]benzoic acid Traditional Name: 4-[[(4-mercaptopyrrolidin-2-yl)-(2-naphthylsulfonyl)methyl]carbamoyl]benzoic acid Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(NC(=O)C2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1C(CNC1C(NC(=O)C2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

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