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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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