4-morpholin-4-ylsulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-morpholin-4-ylsulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide CAS Name: 4-(4-morpholinylsulfonyl)-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-morpholin-4-ylsulfonyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide Formula: C21H20N4O6S2 MolecularWeight: 488.5367

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H20N4O6S2/c1-2-9-24-18-8-5-16(25(27)28)14-19(18)32-21(24)22-20(26)15-3-6-17(7-4-15)33(29,30)23-10-12-31-13-11-23/h2-8,14H,1,9-13H2