3-chloranyl-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-4-methyl-N-[2-(5-methyl-2-furyl)-2-morpholino-ethyl]-5-nitro-benzenesulfonamide CAS Name: 3-chloro-4-methyl-N-[2-(5-methyl-2-furanyl)-2-(4-morpholinyl)ethyl]-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-4-methyl-N-[2-(5-methyl-2-furyl)-2-morpholino-ethyl]-5-nitro-benzenesulfonamide Formula: C18H22ClN3O6S MolecularWeight: 443.90178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl)N3CCOCC3

Isomeric SMILES

CC1=CC=C(O1)C(CNS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl)N3CCOCC3

InChI

InChI=1S/C18H22ClN3O6S/c1-12-3-4-18(28-12)17(21-5-7-27-8-6-21)11-20-29(25,26)14-9-15(19)13(2)16(10-14)22(23)24/h3-4,9-10,17,20H,5-8,11H2,1-2H3