N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]-2-nitro-benzenesulfonamide Openeye Name: N-[[4-[(2-naphthylmethylamino)methyl]cyclohexyl]methyl]-2-nitro-benzenesulfonamide CAS Name: N-[[4-[(2-naphthalenylmethylamino)methyl]cyclohexyl]methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[[4-[(naphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]-2-nitrobenzenesulfonamide Traditional Name: N-[[4-[(2-naphthylmethylamino)methyl]cyclohexyl]methyl]-2-nitro-benzenesulfonamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNCC2=CC3=CC=CC=C3C=C2)CNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1CNCC2=CC3=CC=CC=C3C=C2)CNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O4S/c29-28(30)24-7-3-4-8-25(24)33(31,32)27-18-20-11-9-19(10-12-20)16-26-17-21-13-14-22-5-1-2-6-23(22)15-21/h1-8,13-15,19-20,26-27H,9-12,16-18H2