5-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]-2-chloro-benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 5-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[(3-butyramidophenyl)thio]butanoylamino]-2-chloro-benzoic acid Formula: C21H23ClN2O4S MolecularWeight: 434.93632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C21H23ClN2O4S/c1-3-6-19(25)23-13-7-5-8-15(11-13)29-18(4-2)20(26)24-14-9-10-17(22)16(12-14)21(27)28/h5,7-12,18H,3-4,6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)