N-(1-adamantyl)-N-methyl-4-nitro-benzenesulfonamide

Systemtic Name: N-(1-adamantyl)-N-methyl-4-nitro-benzenesulfonamide Openeye Name: N-(1-adamantyl)-N-methyl-4-nitro-benzenesulfonamide CAS Name: N-(1-adamantyl)-N-methyl-4-nitrobenzenesulfonamide IUPAC Name: N-(1-adamantyl)-N-methyl-4-nitrobenzenesulfonamide Traditional Name: N-(1-adamantyl)-N-methyl-4-nitro-benzenesulfonamide Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CN(C12CC3CC(C1)CC(C3)C2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C12CC3CC(C1)CC(C3)C2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O4S/c1-18(17-9-12-6-13(10-17)8-14(7-12)11-17)24(22,23)16-4-2-15(3-5-16)19(20)21/h2-5,12-14H,6-11H2,1H3