adamantan-2-amine; 2-(2-adamantylcarbamoyl)benzenesulfinic acid

Systemtic Name: adamantan-2-amine; 2-(2-adamantylcarbamoyl)benzenesulfinic acid Openeye Name: adamantan-2-amine; 2-(2-adamantylcarbamoyl)benzenesulfinic acid CAS Name: 2-adamantanamine; 2-[(2-adamantylamino)-oxomethyl]benzenesulfinic acid IUPAC Name: adamantan-2-amine; 2-(2-adamantylcarbamoyl)benzenesulfinic acid Traditional Name: 2-adamantylamine; 2-(2-adamantylcarbamoyl)benzenesulfinic acid Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3N.C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=CC=C4S(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3N.C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=CC=C4S(=O)O

InChI

InChI=1S/C17H21NO3S.C10H17N/c19-17(14-3-1-2-4-15(14)22(20)21)18-16-12-6-10-5-11(8-12)9-13(16)7-10;11-10-8-2-6-1-7(4-8)5-9(10)3-6/h1-4,10-13,16H,5-9H2,(H,18,19)(H,20,21);6-10H,1-5,11H2