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

Systemtic Name: N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-benzamide Openeye Name: N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]-5-phenyl-benzamide CAS Name: N-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[(1-methyl-4-pyrazolyl)methyl]-5-phenylbenzamide IUPAC Name: N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]-5-phenylbenzamide Traditional Name: N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]-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)N(C)CC3=CN(N=C3)C)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)N(C)CC3=CN(N=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O3S/c1-26-9-11-29(12-10-26)33(31,32)23-14-21(20-7-5-4-6-8-20)13-22(15-23)24(30)27(2)17-19-16-25-28(3)18-19/h4-8,13-16,18H,9-12,17H2,1-3H3/p+1