N-[3-chloranyl-4-[4-(4,5-dimethoxy-2-nitro-phenyl)butoxy]phenyl]methanesulfonamide

Systemtic Name: N-[3-chloranyl-4-[4-(4,5-dimethoxy-2-nitro-phenyl)butoxy]phenyl]methanesulfonamide Openeye Name: N-[3-chloro-4-[4-(4,5-dimethoxy-2-nitro-phenyl)butoxy]phenyl]methanesulfonamide CAS Name: N-[3-chloro-4-[4-(4,5-dimethoxy-2-nitrophenyl)butoxy]phenyl]methanesulfonamide IUPAC Name: N-[3-chloro-4-[4-(4,5-dimethoxy-2-nitrophenyl)butoxy]phenyl]methanesulfonamide Traditional Name: N-[3-chloro-4-[4-(4,5-dimethoxy-2-nitro-phenyl)butoxy]phenyl]methanesulfonamide Formula: C19H23ClN2O7S MolecularWeight: 458.91312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCCCOC2=C(C=C(C=C2)NS(=O)(=O)C)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCCCOC2=C(C=C(C=C2)NS(=O)(=O)C)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C19H23ClN2O7S/c1-27-18-10-13(16(22(23)24)12-19(18)28-2)6-4-5-9-29-17-8-7-14(11-15(17)20)21-30(3,25)26/h7-8,10-12,21H,4-6,9H2,1-3H3