(2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-isopropylpiperidin-1-ium-4-yl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-4-(methylthio)-N-(1-propan-2-yl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-isopropylpiperidin-1-ium-4-yl)-4-(methylthio)butyramide Formula: C19H31FN3O3S2+ MolecularWeight: 432.596143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)[C@H](CCSC)NS(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C19H30FN3O3S2/c1-14(2)23-11-8-15(9-12-23)21-19(24)17(10-13-27-3)22-28(25,26)18-7-5-4-6-16(18)20/h4-7,14-15,17,22H,8-13H2,1-3H3,(H,21,24)/p+1/t17-/m0/s1