N-[4-(1-adamantyl)-2-methyl-phenyl]-2-chloranyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[4-(1-adamantyl)-2-methyl-phenyl]-2-chloranyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-(1-adamantyl)-2-methyl-phenyl]-2-chloro-5-nitro-benzenesulfonamide CAS Name: N-[4-(1-adamantyl)-2-methylphenyl]-2-chloro-5-nitrobenzenesulfonamide IUPAC Name: N-[4-(1-adamantyl)-2-methylphenyl]-2-chloro-5-nitrobenzenesulfonamide Traditional Name: N-[4-(1-adamantyl)-2-methyl-phenyl]-2-chloro-5-nitro-benzenesulfonamide Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)NS(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)NS(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H25ClN2O4S/c1-14-6-18(23-11-15-7-16(12-23)9-17(8-15)13-23)2-5-21(14)25-31(29,30)22-10-19(26(27)28)3-4-20(22)24/h2-6,10,15-17,25H,7-9,11-13H2,1H3