N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]pyrazole-4-carboxamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]pyrazole-4-carboxamide Formula: C22H26N5O3S+ MolecularWeight: 440.53854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S/c1-25-11-13-27(14-12-25)31(29,30)21-9-7-20(8-10-21)24-22(28)19-15-23-26(17-19)16-18-5-3-2-4-6-18/h2-10,15,17H,11-14,16H2,1H3,(H,24,28)/p+1