2-azanyl-2-(4-nitrophenyl)sulfonyl-adamantane-1-carboxylic acid

Systemtic Name: 2-azanyl-2-(4-nitrophenyl)sulfonyl-adamantane-1-carboxylic acid Openeye Name: 2-amino-2-(4-nitrophenyl)sulfonyl-adamantane-1-carboxylic acid CAS Name: 2-amino-2-(4-nitrophenyl)sulfonyl-1-adamantanecarboxylic acid IUPAC Name: 2-amino-2-(4-nitrophenyl)sulfonyladamantane-1-carboxylic acid Traditional Name: 2-amino-2-nosyl-adamantane-1-carboxylic acid Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3(N)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3(N)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H20N2O6S/c18-17(26(24,25)14-3-1-13(2-4-14)19(22)23)12-6-10-5-11(7-12)9-16(17,8-10)15(20)21/h1-4,10-12H,5-9,18H2,(H,20,21)