N-[4-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]butyl]adamantane-1-carboxamide Openeye Name: N-[4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butyl]adamantane-1-carboxamide CAS Name: N-[4-oxo-4-[4-(1-pyrrolidinylsulfonyl)anilino]butyl]-1-adamantanecarboxamide IUPAC Name: N-[4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-(4-pyrrolidinosulfonylanilino)butyl]adamantane-1-carboxamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O4S/c29-23(27-21-5-7-22(8-6-21)33(31,32)28-10-1-2-11-28)4-3-9-26-24(30)25-15-18-12-19(16-25)14-20(13-18)17-25/h5-8,18-20H,1-4,9-17H2,(H,26,30)(H,27,29)