(3-morpholin-4-ylsulfonylphenyl)methyl 4-butoxybenzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-butoxybenzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H27NO6S MolecularWeight: 433.51788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H27NO6S/c1-2-3-13-28-20-9-7-19(8-10-20)22(24)29-17-18-5-4-6-21(16-18)30(25,26)23-11-14-27-15-12-23/h4-10,16H,2-3,11-15,17H2,1H3