4-chloranyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(2-morpholino-1,3-benzothiazol-6-yl)-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(2-morpholino-1,3-benzothiazol-6-yl)-3-nitro-benzenesulfonamide Formula: C17H15ClN4O5S2 MolecularWeight: 454.9078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O5S2/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/h1-4,9-10,20H,5-8H2