(4-chloranyl-3-nitro-phenyl)sulfonyl-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)azanide

Systemtic Name: (4-chloranyl-3-nitro-phenyl)sulfonyl-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)azanide Openeye Name: (4-chloro-3-nitro-phenyl)sulfonyl-(2-morpholino-1,3-benzothiazol-6-yl)azanide CAS Name: (4-chloro-3-nitrophenyl)sulfonyl-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]azanide IUPAC Name: (4-chloro-3-nitrophenyl)sulfonyl-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)azanide Traditional Name: (4-chloro-3-nitro-phenyl)sulfonyl-(2-morpholino-1,3-benzothiazol-6-yl)azanide Formula: C17H14ClN4O5S2- MolecularWeight: 453.89986

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)[N-]S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)[N-]S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN4O5S2/c18-13-3-2-12(10-15(13)22(23)24)29(25,26)20-11-1-4-14-16(9-11)28-17(19-14)21-5-7-27-8-6-21/h1-4,9-10H,5-8H2/q-1