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

Systemtic Name: ethyl 4-[hexyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: ethyl 4-[hexyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[hexyl-(4-methylphenyl)sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[hexyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[hexyl(tosyl)amino]benzoic acid ethyl ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4S/c1-4-6-7-8-17-23(28(25,26)21-15-9-18(3)10-16-21)20-13-11-19(12-14-20)22(24)27-5-2/h9-16H,4-8,17H2,1-3H3