4-(1-adamantylmethylamino)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(1-adamantylmethylamino)-3-nitro-benzenesulfonamide Openeye Name: 4-(1-adamantylmethylamino)-3-nitro-benzenesulfonamide CAS Name: 4-(1-adamantylmethylamino)-3-nitrobenzenesulfonamide IUPAC Name: 4-(1-adamantylmethylamino)-3-nitrobenzenesulfonamide Traditional Name: 4-(1-adamantylmethylamino)-3-nitro-benzenesulfonamide Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4S/c18-25(23,24)14-1-2-15(16(6-14)20(21)22)19-10-17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,11-13,19H,3-5,7-10H2,(H2,18,23,24)