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

Systemtic Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide Openeye Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide CAS Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide Traditional Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propionamide Formula: C16H25ClN3O3S+ MolecularWeight: 374.906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CC[NH+](CC1)C)NS(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)N(C)C1CC[NH+](CC1)C)NS(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H24ClN3O3S/c1-12(16(21)20(3)14-7-9-19(2)10-8-14)18-24(22,23)15-6-4-5-13(17)11-15/h4-6,11-12,14,18H,7-10H2,1-3H3/p+1/t12-/m0/s1