butyl 4-[2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-pyrrolidinosulfonylphenyl)thio]acetyl]amino]benzoic acid butyl ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H28N2O5S2/c1-2-3-16-30-23(27)18-6-8-19(9-7-18)24-22(26)17-31-20-10-12-21(13-11-20)32(28,29)25-14-4-5-15-25/h6-13H,2-5,14-17H2,1H3,(H,24,26)