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

Systemtic Name: phenyl 3-[(4-chlorophenyl)sulfonylamino]-2-ethyl-octanoate Openeye Name: phenyl 3-[(4-chlorophenyl)sulfonylamino]-2-ethyl-octanoate CAS Name: 3-[(4-chlorophenyl)sulfonylamino]-2-ethyloctanoic acid phenyl ester IUPAC Name: phenyl 3-[(4-chlorophenyl)sulfonylamino]-2-ethyloctanoate Traditional Name: 3-[(4-chlorophenyl)sulfonylamino]-2-ethyl-caprylic acid phenyl ester Formula: C22H28ClNO4S MolecularWeight: 437.98002

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClNO4S/c1-3-5-7-12-21(24-29(26,27)19-15-13-17(23)14-16-19)20(4-2)22(25)28-18-10-8-6-9-11-18/h6,8-11,13-16,20-21,24H,3-5,7,12H2,1-2H3