4-chloranyl-N-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-4-oxidanyl-naphthalen-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-4-oxidanyl-naphthalen-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[3-(4,5-dihydrothiazol-2-ylsulfanyl)-4-hydroxy-1-naphthyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[3-(4,5-dihydrothiazol-2-ylthio)-4-hydroxy-1-naphthalenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-4-hydroxynaphthalen-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-hydroxy-3-(2-thiazolin-2-ylthio)-1-naphthyl]-3-nitro-benzenesulfonamide Formula: C19H14ClN3O5S3 MolecularWeight: 495.97956

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SC2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])O

Isomeric SMILES

C1CSC(=N1)SC2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])O

InChI

InChI=1S/C19H14ClN3O5S3/c20-14-6-5-11(9-16(14)23(25)26)31(27,28)22-15-10-17(30-19-21-7-8-29-19)18(24)13-4-2-1-3-12(13)15/h1-6,9-10,22,24H,7-8H2