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

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Openeye Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]propanamide IUPAC Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]propionamide Formula: C21H30N5O3S+ MolecularWeight: 432.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C21H29N5O3S/c1-16-4-6-19(14-17(16)2)30(28,29)23-9-8-21(27)24-18-5-7-20(22-15-18)26-12-10-25(3)11-13-26/h4-7,14-15,23H,8-13H2,1-3H3,(H,24,27)/p+1