N-(4-methylsulfonyl-2-nitro-phenyl)cycloheptanamine

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)cycloheptanamine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)cycloheptanamine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)cycloheptanamine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)cycloheptanamine Traditional Name: cycloheptyl-(4-mesyl-2-nitro-phenyl)amine Formula: C14H20N2O4S MolecularWeight: 312.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-21(19,20)12-8-9-13(14(10-12)16(17)18)15-11-6-4-2-3-5-7-11/h8-11,15H,2-7H2,1H3