N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C20H15N3O5S3 MolecularWeight: 473.5452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15N3O5S3/c1-12-6-8-14(23(25)26)11-19(12)31(27,28)22-13-7-9-16(24)18(10-13)30-20-21-15-4-2-3-5-17(15)29-20/h2-11,22,24H,1H3