N-methyl-2-[(4-methylphenyl)methylamino]-3-nitro-N-octadecyl-benzenesulfonamide

Systemtic Name: N-methyl-2-[(4-methylphenyl)methylamino]-3-nitro-N-octadecyl-benzenesulfonamide Openeye Name: N-methyl-3-nitro-N-octadecyl-2-(p-tolylmethylamino)benzenesulfonamide CAS Name: N-methyl-2-[(4-methylphenyl)methylamino]-3-nitro-N-octadecylbenzenesulfonamide IUPAC Name: N-methyl-2-[(4-methylphenyl)methylamino]-3-nitro-N-octadecylbenzenesulfonamide Traditional Name: N-methyl-2-[(4-methylbenzyl)amino]-3-nitro-N-stearyl-benzenesulfonamide Formula: C33H53N3O4S MolecularWeight: 587.85662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)C1=CC=CC(=C1NCC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)C1=CC=CC(=C1NCC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C33H53N3O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-35(3)41(39,40)32-22-20-21-31(36(37)38)33(32)34-28-30-25-23-29(2)24-26-30/h20-26,34H,4-19,27-28H2,1-3H3