ethyl 4-[(4-methylphenyl)sulfonyl-octadecyl-amino]benzoate

Systemtic Name: ethyl 4-[(4-methylphenyl)sulfonyl-octadecyl-amino]benzoate Openeye Name: ethyl 4-[octadecyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[(4-methylphenyl)sulfonyl-octadecylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylphenyl)sulfonyl-octadecylamino]benzoate Traditional Name: 4-[stearyl(tosyl)amino]benzoic acid ethyl ester Formula: C34H53NO4S MolecularWeight: 571.85392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C34H53NO4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-35(40(37,38)33-27-21-30(3)22-28-33)32-25-23-31(24-26-32)34(36)39-5-2/h21-28H,4-20,29H2,1-3H3