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

Systemtic Name: N-[[(5R)-5-chloranyl-1-(4-imidazol-1-ylphenyl)carbonyl-2-sulfanylidene-pyrrolidin-3-yl]methyl]-4-sulfanyl-benzenesulfonamide Openeye Name: N-[[(5R)-5-chloro-1-(4-imidazol-1-ylbenzoyl)-2-thioxo-pyrrolidin-3-yl]methyl]-4-sulfanyl-benzenesulfonamide CAS Name: N-[[(5R)-5-chloro-1-[[4-(1-imidazolyl)phenyl]-oxomethyl]-2-sulfanylidene-3-pyrrolidinyl]methyl]-4-mercaptobenzenesulfonamide IUPAC Name: N-[[(5R)-5-chloro-1-(4-imidazol-1-ylbenzoyl)-2-sulfanylidenepyrrolidin-3-yl]methyl]-4-sulfanylbenzenesulfonamide Traditional Name: N-[[(5R)-5-chloro-1-(4-imidazol-1-ylbenzoyl)-2-thioxo-pyrrolidin-3-yl]methyl]-4-mercapto-benzenesulfonamide Formula: C21H19ClN4O3S3 MolecularWeight: 507.04856

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=S)N(C1Cl)C(=O)C2=CC=C(C=C2)N3C=CN=C3)CNS(=O)(=O)C4=CC=C(C=C4)S

Isomeric SMILES

C1[C@H](N(C(=S)C1CNS(=O)(=O)C2=CC=C(C=C2)S)C(=O)C3=CC=C(C=C3)N4C=CN=C4)Cl

InChI

InChI=1S/C21H19ClN4O3S3/c22-19-11-15(12-24-32(28,29)18-7-5-17(30)6-8-18)21(31)26(19)20(27)14-1-3-16(4-2-14)25-10-9-23-13-25/h1-10,13,15,19,24,30H,11-12H2/t15?,19-/m0/s1