2-azanyl-4-fluoranyl-5-methyl-3-naphthalen-1-yloxysulfonyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-4-fluoranyl-5-methyl-3-naphthalen-1-yloxysulfonyl-benzenesulfonic acid Openeye Name: 2-amino-4-fluoro-5-methyl-3-(1-naphthyloxysulfonyl)benzenesulfonic acid CAS Name: 2-amino-4-fluoro-5-methyl-3-(1-naphthalenyloxysulfonyl)benzenesulfonic acid IUPAC Name: 2-amino-4-fluoro-5-methyl-3-naphthalen-1-yloxysulfonylbenzenesulfonic acid Traditional Name: 2-amino-4-fluoro-5-methyl-3-(1-naphthoxysulfonyl)besylic acid Formula: C17H14FNO6S2 MolecularWeight: 411.424563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1F)S(=O)(=O)OC2=CC=CC3=CC=CC=C32)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1F)S(=O)(=O)OC2=CC=CC3=CC=CC=C32)N)S(=O)(=O)O

InChI

InChI=1S/C17H14FNO6S2/c1-10-9-14(26(20,21)22)16(19)17(15(10)18)27(23,24)25-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,19H2,1H3,(H,20,21,22)