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

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-naphthalen-1-yl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-1-naphthyl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-1-naphthalenyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxynaphthalen-1-yl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-1-naphthyl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C24H17N3O6S3 MolecularWeight: 539.60328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C24H17N3O6S3/c1-33-20-11-10-14(12-19(20)27(29)30)36(31,32)26-18-13-22(23(28)16-7-3-2-6-15(16)18)35-24-25-17-8-4-5-9-21(17)34-24/h2-13,26,28H,1H3