N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-[6-(4-morpholinylsulfonyl)-1,3-benzothiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C18H15N5O8S2 MolecularWeight: 493.4704

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O8S2/c24-17(11-7-12(22(25)26)9-13(8-11)23(27)28)20-18-19-15-2-1-14(10-16(15)32-18)33(29,30)21-3-5-31-6-4-21/h1-2,7-10H,3-6H2,(H,19,20,24)