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

Systemtic Name: N-[[(5R)-5-chloranyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]carbonyl-2-sulfanylidene-pyrrolidin-3-yl]methyl]-4-sulfanyl-benzenesulfonamide Openeye Name: N-[[(5R)-5-chloro-1-[1-(2-methylpyrimidin-4-yl)piperidine-4-carbonyl]-2-thioxo-pyrrolidin-3-yl]methyl]-4-sulfanyl-benzenesulfonamide CAS Name: N-[[(5R)-5-chloro-1-[[1-(2-methyl-4-pyrimidinyl)-4-piperidinyl]-oxomethyl]-2-sulfanylidene-3-pyrrolidinyl]methyl]-4-mercaptobenzenesulfonamide IUPAC Name: N-[[(5R)-5-chloro-1-[1-(2-methylpyrimidin-4-yl)piperidine-4-carbonyl]-2-sulfanylidenepyrrolidin-3-yl]methyl]-4-sulfanylbenzenesulfonamide Traditional Name: N-[[(5R)-5-chloro-1-[1-(2-methylpyrimidin-4-yl)isonipecotoyl]-2-thioxo-pyrrolidin-3-yl]methyl]-4-mercapto-benzenesulfonamide Formula: C22H26ClN5O3S3 MolecularWeight: 540.12154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)N2CCC(CC2)C(=O)N3C(CC(C3=S)CNS(=O)(=O)C4=CC=C(C=C4)S)Cl

Isomeric SMILES

CC1=NC=CC(=N1)N2CCC(CC2)C(=O)N3[C@@H](CC(C3=S)CNS(=O)(=O)C4=CC=C(C=C4)S)Cl

InChI

InChI=1S/C22H26ClN5O3S3/c1-14-24-9-6-20(26-14)27-10-7-15(8-11-27)21(29)28-19(23)12-16(22(28)33)13-25-34(30,31)18-4-2-17(32)3-5-18/h2-6,9,15-16,19,25,32H,7-8,10-13H2,1H3/t16?,19-/m0/s1