1-[naphthalen-2-ylsulfonyl-[4-(triphenylmethyl)sulfanylpyrrolidin-2-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[naphthalen-2-ylsulfonyl-[4-(triphenylmethyl)sulfanylpyrrolidin-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-naphthylsulfonyl-(4-tritylsulfanylpyrrolidin-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[2-naphthalenylsulfonyl-[4-[(triphenylmethyl)thio]-2-pyrrolidinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-2-ylsulfonyl-(4-tritylsulfanylpyrrolidin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-naphthylsulfonyl-[4-(tritylthio)pyrrolidin-2-yl]methyl]isonipecotic acid Formula: C40H40N2O4S2 MolecularWeight: 676.8866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2CC(CN2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2CC(CN2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

InChI

InChI=1S/C40H40N2O4S2/c43-39(44)30-22-24-42(25-23-30)38(48(45,46)36-21-20-29-12-10-11-13-31(29)26-36)37-27-35(28-41-37)47-40(32-14-4-1-5-15-32,33-16-6-2-7-17-33)34-18-8-3-9-19-34/h1-21,26,30,35,37-38,41H,22-25,27-28H2,(H,43,44)