(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pentanamide

Systemtic Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pentanamide Openeye Name: (2S)-4-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-(p-tolylsulfonylamino)pentanamide CAS Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]pentanamide IUPAC Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pentanamide Traditional Name: (2S)-4-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-(tosylamino)valeramide Formula: C23H34N5O3S+ MolecularWeight: 460.61276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C23H33N5O3S/c1-17(2)15-21(26-32(30,31)20-8-5-18(3)6-9-20)23(29)25-19-7-10-22(24-16-19)28-13-11-27(4)12-14-28/h5-10,16-17,21,26H,11-15H2,1-4H3,(H,25,29)/p+1/t21-/m0/s1