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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

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