2-(1-adamantylcarbamoyl)benzenesulfinic acid

Systemtic Name: 2-(1-adamantylcarbamoyl)benzenesulfinic acid Openeye Name: 2-(1-adamantylcarbamoyl)benzenesulfinic acid CAS Name: 2-[(1-adamantylamino)-oxomethyl]benzenesulfinic acid IUPAC Name: 2-(1-adamantylcarbamoyl)benzenesulfinic acid Traditional Name: 2-(1-adamantylcarbamoyl)benzenesulfinic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4S(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4S(=O)O

InChI

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