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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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