N-[[(5R)-5-chloranyl-1-imidazol-1-ylcarbonyl-2-sulfanylidene-pyrrolidin-3-yl]methyl]-4-sulfanyl-benzenesulfonamide

Systemtic Name: N-[[(5R)-5-chloranyl-1-imidazol-1-ylcarbonyl-2-sulfanylidene-pyrrolidin-3-yl]methyl]-4-sulfanyl-benzenesulfonamide Openeye Name: N-[[(5R)-5-chloro-1-(imidazole-1-carbonyl)-2-thioxo-pyrrolidin-3-yl]methyl]-4-sulfanyl-benzenesulfonamide CAS Name: N-[[(5R)-5-chloro-1-[1-imidazolyl(oxo)methyl]-2-sulfanylidene-3-pyrrolidinyl]methyl]-4-mercaptobenzenesulfonamide IUPAC Name: N-[[(5R)-5-chloro-1-(imidazole-1-carbonyl)-2-sulfanylidenepyrrolidin-3-yl]methyl]-4-sulfanylbenzenesulfonamide Traditional Name: N-[[(5R)-5-chloro-1-(imidazole-1-carbonyl)-2-thioxo-pyrrolidin-3-yl]methyl]-4-mercapto-benzenesulfonamide Formula: C15H15ClN4O3S3 MolecularWeight: 430.9526

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=S)N(C1Cl)C(=O)N2C=CN=C2)CNS(=O)(=O)C3=CC=C(C=C3)S

Isomeric SMILES

C1[C@H](N(C(=S)C1CNS(=O)(=O)C2=CC=C(C=C2)S)C(=O)N3C=CN=C3)Cl

InChI

InChI=1S/C15H15ClN4O3S3/c16-13-7-10(14(25)20(13)15(21)19-6-5-17-9-19)8-18-26(22,23)12-3-1-11(24)2-4-12/h1-6,9-10,13,18,24H,7-8H2/t10?,13-/m0/s1