2-[6-chloranyl-2-[4-(methylsulfonylamino)phenyl]carbonyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-2-[4-(methylsulfonylamino)phenyl]carbonyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[6-chloro-2-[4-(methanesulfonamido)benzoyl]-1H-indol-3-yl]acetic acid CAS Name: 2-[6-chloro-2-[[4-(methanesulfonamido)phenyl]-oxomethyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[6-chloro-2-[4-(methanesulfonamido)benzoyl]-1H-indol-3-yl]acetic acid Traditional Name: 2-[6-chloro-2-[4-(methanesulfonamido)benzoyl]-1H-indol-3-yl]acetic acid Formula: C18H15ClN2O5S MolecularWeight: 406.8401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2=C(C3=C(N2)C=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2=C(C3=C(N2)C=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C18H15ClN2O5S/c1-27(25,26)21-12-5-2-10(3-6-12)18(24)17-14(9-16(22)23)13-7-4-11(19)8-15(13)20-17/h2-8,20-21H,9H2,1H3,(H,22,23)