2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide; ethanedioic acid

Systemtic Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide; ethanedioic acid Openeye Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide; oxalic acid CAS Name: 2-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide; oxalic acid IUPAC Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide; oxalic acid Traditional Name: 2-[4-(3-bromophenyl)sulfonylpiperazino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide; oxalic acid Formula: C25H28BrN5O8S MolecularWeight: 638.48752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26BrN5O4S.C2H2O4/c1-17-22(23(31)29(26(17)2)19-8-4-3-5-9-19)25-21(30)16-27-11-13-28(14-12-27)34(32,33)20-10-6-7-18(24)15-20;3-1(4)2(5)6/h3-10,15H,11-14,16H2,1-2H3,(H,25,30);(H,3,4)(H,5,6)