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

Systemtic Name: N-methyl-4-[(2-methylphenyl)methylamino]-3-nitro-N-octadecyl-benzenesulfonamide Openeye Name: N-methyl-3-nitro-N-octadecyl-4-(o-tolylmethylamino)benzenesulfonamide CAS Name: N-methyl-4-[(2-methylphenyl)methylamino]-3-nitro-N-octadecylbenzenesulfonamide IUPAC Name: N-methyl-4-[(2-methylphenyl)methylamino]-3-nitro-N-octadecylbenzenesulfonamide Traditional Name: N-methyl-4-[(2-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(=C(C=C1)NCC2=CC=CC=C2C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2C)[N+](=O)[O-]

InChI

InChI=1S/C33H53N3O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-35(3)41(39,40)31-24-25-32(33(27-31)36(37)38)34-28-30-23-20-19-22-29(30)2/h19-20,22-25,27,34H,4-18,21,26,28H2,1-3H3