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

Systemtic Name: N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide CAS Name: N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide Formula: C21H22N4O7S2 MolecularWeight: 506.55198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O7S2/c1-3-24-19-17(31-2)12-15(25(27)28)13-18(19)33-21(24)22-20(26)14-4-6-16(7-5-14)34(29,30)23-8-10-32-11-9-23/h4-7,12-13H,3,8-11H2,1-2H3