6-[2-[(4-chlorophenyl)sulfonyl-(phenylmethyl)amino]ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-[(4-chlorophenyl)sulfonyl-(phenylmethyl)amino]ethanoylamino]hexanoic acid Openeye Name: 6-[[2-[benzyl-(4-chlorophenyl)sulfonyl-amino]acetyl]amino]hexanoic acid CAS Name: 6-[[2-[(4-chlorophenyl)sulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]hexanoic acid Traditional Name: 6-[[2-[benzyl-(4-chlorophenyl)sulfonyl-amino]acetyl]amino]hexanoic acid Formula: C21H25ClN2O5S MolecularWeight: 452.9516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC(=O)NCCCCCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC(=O)NCCCCCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H25ClN2O5S/c22-18-10-12-19(13-11-18)30(28,29)24(15-17-7-3-1-4-8-17)16-20(25)23-14-6-2-5-9-21(26)27/h1,3-4,7-8,10-13H,2,5-6,9,14-16H2,(H,23,25)(H,26,27)