[5-azanyl-1-(4-chlorophenyl)sulfonyl-pyrazol-3-yl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [5-azanyl-1-(4-chlorophenyl)sulfonyl-pyrazol-3-yl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [5-amino-1-(4-chlorophenyl)sulfonyl-pyrazol-3-yl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [5-amino-1-(4-chlorophenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-chlorophenyl)sulfonylpyrazol-3-yl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [5-amino-1-(4-chlorophenyl)sulfonyl-pyrazol-3-yl] ester Formula: C16H10BrCl2N3O4S MolecularWeight: 491.1433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=C(C=CC(=C3)Br)Cl)N)Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)N2C(=CC(=N2)OC(=O)C3=C(C=CC(=C3)Br)Cl)N)Cl

InChI

InChI=1S/C16H10BrCl2N3O4S/c17-9-1-6-13(19)12(7-9)16(23)26-15-8-14(20)22(21-15)27(24,25)11-4-2-10(18)3-5-11/h1-8H,20H2