N-(1-adamantylmethyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(1-adamantylmethyl)-3-nitro-benzenesulfonamide Openeye Name: N-(1-adamantylmethyl)-3-nitro-benzenesulfonamide CAS Name: N-(1-adamantylmethyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(1-adamantylmethyl)-3-nitrobenzenesulfonamide Traditional Name: N-(1-adamantylmethyl)-3-nitro-benzenesulfonamide Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O4S/c20-19(21)15-2-1-3-16(7-15)24(22,23)18-11-17-8-12-4-13(9-17)6-14(5-12)10-17/h1-3,7,12-14,18H,4-6,8-11H2