4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-5-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-5-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-5-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-5-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-5-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-5-nitro-phenyl]sulfonylmorpholine Formula: C17H14ClN3O5S3 MolecularWeight: 471.95816

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C17H14ClN3O5S3/c18-11-1-3-14-13(9-11)19-17(27-14)28-15-4-2-12(21(22)23)10-16(15)29(24,25)20-5-7-26-8-6-20/h1-4,9-10H,5-8H2