N-[(1-azanylcyclohexyl)methyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(1-azanylcyclohexyl)methyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1-aminocyclohexyl)methyl]-4-nitro-benzenesulfonamide CAS Name: N-[(1-aminocyclohexyl)methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(1-aminocyclohexyl)methyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1-aminocyclohexyl)methyl]-4-nitro-benzenesulfonamide Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1CCC(CC1)(CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C13H19N3O4S/c14-13(8-2-1-3-9-13)10-15-21(19,20)12-6-4-11(5-7-12)16(17)18/h4-7,15H,1-3,8-10,14H2