(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pentanamide

Systemtic Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pentanamide Openeye Name: (2S)-4-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-(p-tolylsulfonylamino)pentanamide CAS Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]pentanamide IUPAC Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pentanamide Traditional Name: (2S)-4-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-(tosylamino)valeramide Formula: C25H37N4O3S+ MolecularWeight: 473.65128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H36N4O3S/c1-20(2)19-24(27-33(31,32)23-11-9-21(3)10-12-23)25(30)26-13-14-28-15-17-29(18-16-28)22-7-5-4-6-8-22/h4-12,20,24,27H,13-19H2,1-3H3,(H,26,30)/p+1/t24-/m0/s1