N-[(1R,2R)-2-(naphthalen-1-ylmethylamino)cyclohexyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(1R,2R)-2-(naphthalen-1-ylmethylamino)cyclohexyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-2-(1-naphthylmethylamino)cyclohexyl]-4-nitro-benzenesulfonamide CAS Name: N-[(1R,2R)-2-(1-naphthalenylmethylamino)cyclohexyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2R)-2-(naphthalen-1-ylmethylamino)cyclohexyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-2-(1-naphthylmethylamino)cyclohexyl]-4-nitro-benzenesulfonamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NCC2=CC=CC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)NCC2=CC=CC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O4S/c27-26(28)19-12-14-20(15-13-19)31(29,30)25-23-11-4-3-10-22(23)24-16-18-8-5-7-17-6-1-2-9-21(17)18/h1-2,5-9,12-15,22-25H,3-4,10-11,16H2/t22-,23-/m1/s1