3-(azepan-1-ylsulfonyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide Formula: C23H32N5O3S+ MolecularWeight: 458.59688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H31N5O3S/c1-26-13-15-27(16-14-26)22-10-9-20(18-24-22)25-23(29)19-7-6-8-21(17-19)32(30,31)28-11-4-2-3-5-12-28/h6-10,17-18H,2-5,11-16H2,1H3,(H,25,29)/p+1