(3-methylphenyl) 2-ethyl-3-(phenylsulfonylamino)octanoate

Systemtic Name: (3-methylphenyl) 2-ethyl-3-(phenylsulfonylamino)octanoate Openeye Name: m-tolyl 3-(benzenesulfonamido)-2-ethyl-octanoate CAS Name: 3-(benzenesulfonamido)-2-ethyloctanoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3-(benzenesulfonamido)-2-ethyloctanoate Traditional Name: 3-(benzenesulfonamido)-2-ethyl-caprylic acid m-tolyl 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)C)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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