4-[(4-morpholin-4-ylcarbonyl-2,6-dinitro-phenyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Systemtic Name: 4-[(4-morpholin-4-ylcarbonyl-2,6-dinitro-phenyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide Openeye Name: 4-[4-(morpholine-4-carbonyl)-2,6-dinitro-anilino]-N-thiazol-2-yl-benzenesulfonamide CAS Name: 4-[4-[4-morpholinyl(oxo)methyl]-2,6-dinitroanilino]-N-(2-thiazolyl)benzenesulfonamide IUPAC Name: 4-[4-(morpholine-4-carbonyl)-2,6-dinitroanilino]-N-(1,3-thiazol-2-yl)benzenesulfonamide Traditional Name: 4-[4-(morpholine-4-carbonyl)-2,6-dinitro-anilino]-N-thiazol-2-yl-benzenesulfonamide Formula: C20H18N6O8S2 MolecularWeight: 534.52232

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O8S2/c27-19(24-6-8-34-9-7-24)13-11-16(25(28)29)18(17(12-13)26(30)31)22-14-1-3-15(4-2-14)36(32,33)23-20-21-5-10-35-20/h1-5,10-12,22H,6-9H2,(H,21,23)