4-[2-[(3-chlorophenyl)-methylsulfonyl-amino]butanoylamino]benzoic acid

Systemtic Name: 4-[2-[(3-chlorophenyl)-methylsulfonyl-amino]butanoylamino]benzoic acid Openeye Name: 4-[2-(3-chloro-N-methylsulfonyl-anilino)butanoylamino]benzoic acid CAS Name: 4-[[2-(3-chloro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-(3-chloro-N-methylsulfonylanilino)butanoylamino]benzoic acid Traditional Name: 4-[2-(3-chloro-N-mesyl-anilino)butanoylamino]benzoic acid Formula: C18H19ClN2O5S MolecularWeight: 410.87186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H19ClN2O5S/c1-3-16(17(22)20-14-9-7-12(8-10-14)18(23)24)21(27(2,25)26)15-6-4-5-13(19)11-15/h4-11,16H,3H2,1-2H3,(H,20,22)(H,23,24)