2-[1-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpiperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[1-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylpiperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[4-mercapto-1-(2-naphthylsulfonyl)prolyl]-4-piperidyl]oxy]acetic acid Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

C1CN(CCC1OCC(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C22H26N2O6S2/c25-21(26)14-30-17-7-9-23(10-8-17)22(27)20-12-18(31)13-24(20)32(28,29)19-6-5-15-3-1-2-4-16(15)11-19/h1-6,11,17-18,20,31H,7-10,12-14H2,(H,25,26)