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

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-naphthalen-1-yl]-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-1-naphthyl]-4-chloro-3-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-1-naphthalenyl]-4-chloro-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxynaphthalen-1-yl]-4-chloro-3-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-1-naphthyl]-4-chloro-3-nitro-benzenesulfonamide Formula: C23H14ClN3O5S3 MolecularWeight: 544.02236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)SC3=NC4=CC=CC=C4S3)NS(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)SC3=NC4=CC=CC=C4S3)NS(=O)(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H14ClN3O5S3/c24-16-10-9-13(11-19(16)27(29)30)35(31,32)26-18-12-21(22(28)15-6-2-1-5-14(15)18)34-23-25-17-7-3-4-8-20(17)33-23/h1-12,26,28H