(5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 2-bromanylbenzoate

Systemtic Name: (5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 2-bromanylbenzoate Openeye Name: [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [5-amino-1-(2-naphthalenylsulfonyl)-3-pyrazolyl] ester IUPAC Name: (5-amino-1-naphthalen-2-ylsulfonylpyrazol-3-yl) 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] ester Formula: C20H14BrN3O4S MolecularWeight: 472.31186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C(=CC(=N3)OC(=O)C4=CC=CC=C4Br)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C(=CC(=N3)OC(=O)C4=CC=CC=C4Br)N

InChI

InChI=1S/C20H14BrN3O4S/c21-17-8-4-3-7-16(17)20(25)28-19-12-18(22)24(23-19)29(26,27)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H,22H2