(2S)-N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-2-(phenylsulfonylamino)butanamide

Systemtic Name: (2S)-N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-2-(phenylsulfonylamino)butanamide Openeye Name: (2S)-2-(benzenesulfonamido)-N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-butanamide CAS Name: (2S)-2-(benzenesulfonamido)-N-(1-ethyl-4-piperidin-1-iumyl)-3-methylbutanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-N-(1-ethylpiperidin-1-ium-4-yl)-3-methylbutanamide Traditional Name: (2S)-2-(benzenesulfonamido)-N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-butyramide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-4-21-12-10-15(11-13-21)19-18(22)17(14(2)3)20-25(23,24)16-8-6-5-7-9-16/h5-9,14-15,17,20H,4,10-13H2,1-3H3,(H,19,22)/p+1/t17-/m0/s1