4-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[2-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[2-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]sulfonylmorpholine Formula: C17H15N3O5S3 MolecularWeight: 437.5131

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H15N3O5S3/c21-20(22)12-5-6-15(27-17-18-13-3-1-2-4-14(13)26-17)16(11-12)28(23,24)19-7-9-25-10-8-19/h1-6,11H,7-10H2