N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-morpholinosulfonyl-benzamide CAS Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-morpholinosulfonyl-benzamide Formula: C21H22N4O7S2 MolecularWeight: 506.55198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22N4O7S2/c1-31-11-10-24-18-14-16(25(27)28)4-7-19(18)33-21(24)22-20(26)15-2-5-17(6-3-15)34(29,30)23-8-12-32-13-9-23/h2-7,14H,8-13H2,1H3