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

Systemtic Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide CAS Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide Formula: C19H18N4O6S2 MolecularWeight: 462.49942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H18N4O6S2/c1-21-16-7-4-14(23(25)26)12-17(16)30-19(21)20-18(24)13-2-5-15(6-3-13)31(27,28)22-8-10-29-11-9-22/h2-7,12H,8-11H2,1H3