1-adamantyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: 1-adamantyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: 1-adamantyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: 1-adamantyl-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: 1-adamantyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]ammonium Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H31N3O3S/c26-21(15-23-22-12-16-9-17(13-22)11-18(10-16)14-22)24-19-3-5-20(6-4-19)29(27,28)25-7-1-2-8-25/h3-6,16-18,23H,1-2,7-15H2,(H,24,26)/p+1