N-[[(5R)-5-chloranyl-1-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-2-sulfanylidene-pyrrolidin-3-yl]methyl]-4-sulfanyl-benzenesulfonamide

Systemtic Name: N-[[(5R)-5-chloranyl-1-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-2-sulfanylidene-pyrrolidin-3-yl]methyl]-4-sulfanyl-benzenesulfonamide Openeye Name: N-[[(5R)-5-chloro-1-[1-(4-pyridyl)piperidine-4-carbonyl]-2-thioxo-pyrrolidin-3-yl]methyl]-4-sulfanyl-benzenesulfonamide CAS Name: N-[[(5R)-5-chloro-1-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-2-sulfanylidene-3-pyrrolidinyl]methyl]-4-mercaptobenzenesulfonamide IUPAC Name: N-[[(5R)-5-chloro-1-(1-pyridin-4-ylpiperidine-4-carbonyl)-2-sulfanylidenepyrrolidin-3-yl]methyl]-4-sulfanylbenzenesulfonamide Traditional Name: N-[[(5R)-5-chloro-1-[1-(4-pyridyl)isonipecotoyl]-2-thioxo-pyrrolidin-3-yl]methyl]-4-mercapto-benzenesulfonamide Formula: C22H25ClN4O3S3 MolecularWeight: 525.1069

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2C(CC(C2=S)CNS(=O)(=O)C3=CC=C(C=C3)S)Cl)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2[C@@H](CC(C2=S)CNS(=O)(=O)C3=CC=C(C=C3)S)Cl)C4=CC=NC=C4

InChI

InChI=1S/C22H25ClN4O3S3/c23-20-13-16(14-25-33(29,30)19-3-1-18(31)2-4-19)22(32)27(20)21(28)15-7-11-26(12-8-15)17-5-9-24-10-6-17/h1-6,9-10,15-16,20,25,31H,7-8,11-14H2/t16?,20-/m0/s1