4-methyl-3-[2-[4-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-[4-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-[4-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-[[4-(1-oxopentylamino)phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-[4-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-[[4-(valerylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C21H24N2O4S/c1-3-4-5-19(24)22-16-8-10-17(11-9-16)28-13-20(25)23-18-12-15(21(26)27)7-6-14(18)2/h6-12H,3-5,13H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)