N-[4-(1-adamantyl)phenyl]-4-methoxy-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-[4-(1-adamantyl)phenyl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[4-(1-adamantyl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-[4-(1-adamantyl)phenyl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O5S/c1-30-22-7-6-20(11-21(22)25(26)27)31(28,29)24-19-4-2-18(3-5-19)23-12-15-8-16(13-23)10-17(9-15)14-23/h2-7,11,15-17,24H,8-10,12-14H2,1H3