2-[(4-bromanylnaphthalen-1-yl)sulfonyl-methyl-amino]benzoic acid

Systemtic Name: 2-[(4-bromanylnaphthalen-1-yl)sulfonyl-methyl-amino]benzoic acid Openeye Name: 2-[(4-bromo-1-naphthyl)sulfonyl-methyl-amino]benzoic acid CAS Name: 2-[(4-bromo-1-naphthalenyl)sulfonyl-methylamino]benzoic acid IUPAC Name: 2-[(4-bromonaphthalen-1-yl)sulfonyl-methylamino]benzoic acid Traditional Name: 2-[(4-bromo-1-naphthyl)sulfonyl-methyl-amino]benzoic acid Formula: C18H14BrNO4S MolecularWeight: 420.27706

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)Br

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)Br

InChI

InChI=1S/C18H14BrNO4S/c1-20(16-9-5-4-8-14(16)18(21)22)25(23,24)17-11-10-15(19)12-6-2-3-7-13(12)17/h2-11H,1H3,(H,21,22)