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

Systemtic Name: (2S)-N-(1-ethylpiperidin-1-ium-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Openeye Name: (2S)-N-(1-ethylpiperidin-1-ium-4-yl)-4-methyl-2-(p-tolylsulfonylamino)pentanamide CAS Name: (2S)-N-(1-ethyl-4-piperidin-1-iumyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide IUPAC Name: (2S)-N-(1-ethylpiperidin-1-ium-4-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Traditional Name: (2S)-N-(1-ethylpiperidin-1-ium-4-yl)-4-methyl-2-(tosylamino)valeramide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C(CC(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)[C@H](CC(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H33N3O3S/c1-5-23-12-10-17(11-13-23)21-20(24)19(14-15(2)3)22-27(25,26)18-8-6-16(4)7-9-18/h6-9,15,17,19,22H,5,10-14H2,1-4H3,(H,21,24)/p+1/t19-/m0/s1