benzamide; octan-3-yl 4-methylbenzenesulfonate

Systemtic Name: benzamide; octan-3-yl 4-methylbenzenesulfonate Openeye Name: benzamide; 1-ethylhexyl 4-methylbenzenesulfonate CAS Name: benzamide; 4-methylbenzenesulfonic acid octan-3-yl ester IUPAC Name: benzamide; octan-3-yl 4-methylbenzenesulfonate Traditional Name: benzamide; 4-methylbenzenesulfonic acid 1-ethylhexyl ester Formula: C22H31NO4S MolecularWeight: 405.55084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OS(=O)(=O)C1=CC=C(C=C1)C.C1=CC=C(C=C1)C(=O)N

Isomeric SMILES

CCCCCC(CC)OS(=O)(=O)C1=CC=C(C=C1)C.C1=CC=C(C=C1)C(=O)N

InChI

InChI=1S/C15H24O3S.C7H7NO/c1-4-6-7-8-14(5-2)18-19(16,17)15-11-9-13(3)10-12-15;8-7(9)6-4-2-1-3-5-6/h9-12,14H,4-8H2,1-3H3;1-5H,(H2,8,9)