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

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)naphthalen-1-yl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-1-naphthyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-1-naphthalenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)naphthalen-1-yl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-1-naphthyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C24H17N3O4S3 MolecularWeight: 507.60448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC3=CC=CC=C32)SC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC3=CC=CC=C32)SC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C24H17N3O4S3/c1-15-10-11-18(14-22(15)27(28)29)34(30,31)26-21-13-17(12-16-6-2-3-7-19(16)21)32-24-25-20-8-4-5-9-23(20)33-24/h2-14,26H,1H3