1-[(7-fluoranylnaphthalen-1-yl)methyl]-3-(methylsulfonylaminomethyl)indole-2-carboxylic acid

Systemtic Name: 1-[(7-fluoranylnaphthalen-1-yl)methyl]-3-(methylsulfonylaminomethyl)indole-2-carboxylic acid Openeye Name: 1-[(7-fluoro-1-naphthyl)methyl]-3-(methanesulfonamidomethyl)indole-2-carboxylic acid CAS Name: 1-[(7-fluoro-1-naphthalenyl)methyl]-3-(methanesulfonamidomethyl)-2-indolecarboxylic acid IUPAC Name: 1-[(7-fluoronaphthalen-1-yl)methyl]-3-(methanesulfonamidomethyl)indole-2-carboxylic acid Traditional Name: 1-[(7-fluoro-1-naphthyl)methyl]-3-(methanesulfonamidomethyl)indole-2-carboxylic acid Formula: C22H19FN2O4S MolecularWeight: 426.460663

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=C(N(C2=CC=CC=C21)CC3=CC=CC4=C3C=C(C=C4)F)C(=O)O

Isomeric SMILES

CS(=O)(=O)NCC1=C(N(C2=CC=CC=C21)CC3=CC=CC4=C3C=C(C=C4)F)C(=O)O

InChI

InChI=1S/C22H19FN2O4S/c1-30(28,29)24-12-19-17-7-2-3-8-20(17)25(21(19)22(26)27)13-15-6-4-5-14-9-10-16(23)11-18(14)15/h2-11,24H,12-13H2,1H3,(H,26,27)