4-hexadecoxy-3-nitro-N,N-bis(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-hexadecoxy-3-nitro-N,N-bis(phenylmethyl)benzenesulfonamide Openeye Name: N,N-dibenzyl-4-hexadecoxy-3-nitro-benzenesulfonamide CAS Name: 4-hexadecoxy-3-nitro-N,N-bis(phenylmethyl)benzenesulfonamide IUPAC Name: N,N-dibenzyl-4-hexadecoxy-3-nitrobenzenesulfonamide Traditional Name: N,N-dibenzyl-4-cetyloxy-3-nitro-benzenesulfonamide Formula: C36H50N2O5S MolecularWeight: 622.8576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C36H50N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-28-43-36-27-26-34(29-35(36)38(39)40)44(41,42)37(30-32-22-17-15-18-23-32)31-33-24-19-16-20-25-33/h15-20,22-27,29H,2-14,21,28,30-31H2,1H3