3-[(1-adamantylcarbonylamino)carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide

Systemtic Name: 3-[(1-adamantylcarbonylamino)carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Openeye Name: 3-[(adamantane-1-carbonylamino)carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide CAS Name: 3-[[[1-adamantyl(oxo)methyl]hydrazo]-oxomethyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide IUPAC Name: 3-[(adamantane-1-carbonylamino)carbamoyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide Traditional Name: 3-[(adamantane-1-carbonylamino)carbamoyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Formula: C25H28N4O7S MolecularWeight: 528.57742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28N4O7S/c1-36-22-6-5-19(29(32)33)11-21(22)28-37(34,35)20-4-2-3-18(10-20)23(30)26-27-24(31)25-12-15-7-16(13-25)9-17(8-15)14-25/h2-6,10-11,15-17,28H,7-9,12-14H2,1H3,(H,26,30)(H,27,31)