phenyl 2-ethyl-3-[(4-methylphenyl)sulfonylamino]octanoate

Systemtic Name: phenyl 2-ethyl-3-[(4-methylphenyl)sulfonylamino]octanoate Openeye Name: phenyl 2-ethyl-3-(p-tolylsulfonylamino)octanoate CAS Name: 2-ethyl-3-[(4-methylphenyl)sulfonylamino]octanoic acid phenyl ester IUPAC Name: phenyl 2-ethyl-3-[(4-methylphenyl)sulfonylamino]octanoate Traditional Name: 2-ethyl-3-(tosylamino)caprylic acid phenyl ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC)C(=O)OC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC(C(CC)C(=O)OC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H31NO4S/c1-4-6-8-13-22(24-29(26,27)20-16-14-18(3)15-17-20)21(5-2)23(25)28-19-11-9-7-10-12-19/h7,9-12,14-17,21-22,24H,4-6,8,13H2,1-3H3