N-cyclohexyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-pyridin-2-yl-benzamide

Systemtic Name: N-cyclohexyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-pyridin-2-yl-benzamide Openeye Name: N-cyclohexyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-pyridyl)benzamide CAS Name: N-cyclohexyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(2-pyridinyl)benzamide IUPAC Name: N-cyclohexyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-pyridin-2-ylbenzamide Traditional Name: N-cyclohexyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-pyridyl)benzamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C3CCCCC3)C4=CC=CC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C3CCCCC3)C4=CC=CC=N4

InChI

InChI=1S/C23H30N4O3S/c1-25-14-16-26(17-15-25)31(29,30)21-11-7-8-19(18-21)23(28)27(20-9-3-2-4-10-20)22-12-5-6-13-24-22/h5-8,11-13,18,20H,2-4,9-10,14-17H2,1H3/p+1