butyl 4-[2-[(4-bromophenyl)sulfonyl-ethyl-amino]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(4-bromophenyl)sulfonyl-ethyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(4-bromophenyl)sulfonyl-ethyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-bromophenyl)sulfonyl-ethylamino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-bromophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[brosyl(ethyl)amino]acetyl]amino]benzoic acid butyl ester Formula: C21H25BrN2O5S MolecularWeight: 497.4026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CC)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(CC)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H25BrN2O5S/c1-3-5-14-29-21(26)16-6-10-18(11-7-16)23-20(25)15-24(4-2)30(27,28)19-12-8-17(22)9-13-19/h6-13H,3-5,14-15H2,1-2H3,(H,23,25)