3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenyl-benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenyl-benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenyl-benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[2-(1-methyl-4-pyrazolyl)ethyl]-5-phenylbenzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylbenzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenyl-benzamide Formula: C24H30N5O3S+ MolecularWeight: 468.5917

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)NCCC3=CN(N=C3)C)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)NCCC3=CN(N=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O3S/c1-27-10-12-29(13-11-27)33(31,32)23-15-21(20-6-4-3-5-7-20)14-22(16-23)24(30)25-9-8-19-17-26-28(2)18-19/h3-7,14-18H,8-13H2,1-2H3,(H,25,30)/p+1