N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[5-(diethylsulfamoyl)-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-pyrazol-1-yl-benzamide Formula: C25H33N6O3S+ MolecularWeight: 497.63292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C25H32N6O3S/c1-4-30(5-2)35(33,34)22-11-12-24(29-17-15-28(3)16-18-29)23(19-22)27-25(32)20-7-9-21(10-8-20)31-14-6-13-26-31/h6-14,19H,4-5,15-18H2,1-3H3,(H,27,32)/p+1