N-[4-[(5S,7R)-3-chloranyl-1-adamantyl]phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-[(5S,7R)-3-chloranyl-1-adamantyl]phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-[(5S,7R)-3-chloro-1-adamantyl]phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-[(5S,7R)-3-chloro-1-adamantyl]phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-[(5S,7R)-3-chloro-1-adamantyl]phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-[(5S,7R)-3-chloro-1-adamantyl]phenyl]-2-nitro-benzenesulfonamide Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN2O4S/c23-22-12-15-9-16(13-22)11-21(10-15,14-22)17-5-7-18(8-6-17)24-30(28,29)20-4-2-1-3-19(20)25(26)27/h1-8,15-16,24H,9-14H2/t15-,16+,21?,22?