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

Systemtic Name: 3-[(4-acetamidophenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Openeye Name: 3-[(4-acetamidophenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propanamide CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]propanamide IUPAC Name: 3-[(4-acetamidophenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propionamide Formula: C21H29N6O4S+ MolecularWeight: 461.55776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H28N6O4S/c1-16(28)24-17-3-6-19(7-4-17)32(30,31)23-10-9-21(29)25-18-5-8-20(22-15-18)27-13-11-26(2)12-14-27/h3-8,15,23H,9-14H2,1-2H3,(H,24,28)(H,25,29)/p+1