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

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-naphthalen-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-1-naphthyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-1-naphthalenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxynaphthalen-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-1-naphthyl]-3-nitro-benzenesulfonamide Formula: C23H15N3O5S3 MolecularWeight: 509.5773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15N3O5S3/c27-22-17-9-2-1-8-16(17)19(25-34(30,31)15-7-5-6-14(12-15)26(28)29)13-21(22)33-23-24-18-10-3-4-11-20(18)32-23/h1-13,25,27H