1-[(5-fluoranyl-1-benzothiophen-3-yl)methyl]-3-(methylsulfonylaminomethyl)indole-2-carboxylic acid

Systemtic Name: 1-[(5-fluoranyl-1-benzothiophen-3-yl)methyl]-3-(methylsulfonylaminomethyl)indole-2-carboxylic acid Openeye Name: 1-[(5-fluorobenzothiophen-3-yl)methyl]-3-(methanesulfonamidomethyl)indole-2-carboxylic acid CAS Name: 1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-3-(methanesulfonamidomethyl)-2-indolecarboxylic acid IUPAC Name: 1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-3-(methanesulfonamidomethyl)indole-2-carboxylic acid Traditional Name: 1-[(5-fluorobenzothiophen-3-yl)methyl]-3-(methanesulfonamidomethyl)indole-2-carboxylic acid Formula: C20H17FN2O4S2 MolecularWeight: 432.488383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=C(N(C2=CC=CC=C21)CC3=CSC4=C3C=C(C=C4)F)C(=O)O

Isomeric SMILES

CS(=O)(=O)NCC1=C(N(C2=CC=CC=C21)CC3=CSC4=C3C=C(C=C4)F)C(=O)O

InChI

InChI=1S/C20H17FN2O4S2/c1-29(26,27)22-9-16-14-4-2-3-5-17(14)23(19(16)20(24)25)10-12-11-28-18-7-6-13(21)8-15(12)18/h2-8,11,22H,9-10H2,1H3,(H,24,25)