adamantan-1-amine; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one

Systemtic Name: adamantan-1-amine; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one Openeye Name: adamantan-1-amine; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one CAS Name: 1-adamantanamine; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one IUPAC Name: adamantan-1-amine; 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one Traditional Name: 1-adamantylamine; 3-(4-mesylphenyl)-4-phenyl-2H-furan-5-one Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3.C1C2CC3CC1CC(C2)(C3)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3.C1C2CC3CC1CC(C2)(C3)N

InChI

InChI=1S/C17H14O4S.C10H17N/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13;11-10-4-7-1-8(5-10)3-9(2-7)6-10/h2-10H,11H2,1H3;7-9H,1-6,11H2