N-(4-methylsulfonyl-2-nitro-phenyl)adamantan-2-amine

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)adamantan-2-amine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)adamantan-2-amine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-2-adamantanamine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)adamantan-2-amine Traditional Name: 2-adamantyl-(4-mesyl-2-nitro-phenyl)amine Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2C3CC4CC(C3)CC2C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2C3CC4CC(C3)CC2C4)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O4S/c1-24(22,23)14-2-3-15(16(9-14)19(20)21)18-17-12-5-10-4-11(7-12)8-13(17)6-10/h2-3,9-13,17-18H,4-8H2,1H3