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

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-phenyl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-phenyl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C20H15N3O6S3 MolecularWeight: 489.5446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6S3/c1-29-17-9-7-13(11-15(17)23(25)26)32(27,28)22-12-6-8-16(24)19(10-12)31-20-21-14-4-2-3-5-18(14)30-20/h2-11,22,24H,1H3