3-[(4-ethanoylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 3-[(4-ethanoylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Openeye Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propanamide CAS Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]propanamide IUPAC Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Traditional Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propionamide Formula: C21H28N5O4S+ MolecularWeight: 446.54312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H27N5O4S/c1-16(27)17-3-6-19(7-4-17)31(29,30)23-10-9-21(28)24-18-5-8-20(22-15-18)26-13-11-25(2)12-14-26/h3-8,15,23H,9-14H2,1-2H3,(H,24,28)/p+1