3-[(4-bromophenyl)sulfonyl-(2-phenylpyrazol-3-yl)amino]propyl benzoate

Systemtic Name: 3-[(4-bromophenyl)sulfonyl-(2-phenylpyrazol-3-yl)amino]propyl benzoate Openeye Name: 3-[(4-bromophenyl)sulfonyl-(2-phenylpyrazol-3-yl)amino]propyl benzoate CAS Name: benzoic acid 3-[(4-bromophenyl)sulfonyl-(2-phenyl-3-pyrazolyl)amino]propyl ester IUPAC Name: 3-[(4-bromophenyl)sulfonyl-(2-phenylpyrazol-3-yl)amino]propyl benzoate Traditional Name: benzoic acid 3-[brosyl-(2-phenylpyrazol-3-yl)amino]propyl ester Formula: C25H22BrN3O4S MolecularWeight: 540.42888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCN(C2=CC=NN2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCN(C2=CC=NN2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H22BrN3O4S/c26-21-12-14-23(15-13-21)34(31,32)28(18-7-19-33-25(30)20-8-3-1-4-9-20)24-16-17-27-29(24)22-10-5-2-6-11-22/h1-6,8-17H,7,18-19H2