(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-butanamide

Systemtic Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-butanamide Openeye Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-butanamide CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(1-ethyl-4-piperidin-1-iumyl)-3-methylbutanamide IUPAC Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(1-ethylpiperidin-1-ium-4-yl)-3-methylbutanamide Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-butyramide Formula: C18H29ClN3O3S+ MolecularWeight: 402.95916

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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=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN3O3S/c1-4-22-11-9-15(10-12-22)20-18(23)17(13(2)3)21-26(24,25)16-7-5-14(19)6-8-16/h5-8,13,15,17,21H,4,9-12H2,1-3H3,(H,20,23)/p+1/t17-/m0/s1