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

Systemtic Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pentanamide Openeye Name: (2S)-N-(1-isopropylpiperidin-1-ium-4-yl)-4-methyl-2-(p-tolylsulfonylamino)pentanamide CAS Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(1-propan-2-yl-4-piperidin-1-iumyl)pentanamide IUPAC Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pentanamide Traditional Name: (2S)-N-(1-isopropylpiperidin-1-ium-4-yl)-4-methyl-2-(tosylamino)valeramide Formula: C21H36N3O3S+ MolecularWeight: 410.59384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NC2CC[NH+](CC2)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C21H35N3O3S/c1-15(2)14-20(23-28(26,27)19-8-6-17(5)7-9-19)21(25)22-18-10-12-24(13-11-18)16(3)4/h6-9,15-16,18,20,23H,10-14H2,1-5H3,(H,22,25)/p+1/t20-/m0/s1