N-(3-chloranyl-4-methoxy-phenyl)-2-[(3S)-3-(methylsulfonylamino)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(3S)-3-(methylsulfonylamino)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(3S)-3-(methanesulfonamido)piperidin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-(methanesulfonamido)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-(methanesulfonamido)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(3S)-3-(methanesulfonamido)piperidin-1-ium-1-yl]acetamide Formula: C15H23ClN3O4S+ MolecularWeight: 376.87882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC(C2)NS(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@@H](C2)NS(=O)(=O)C)Cl

InChI

InChI=1S/C15H22ClN3O4S/c1-23-14-6-5-11(8-13(14)16)17-15(20)10-19-7-3-4-12(9-19)18-24(2,21)22/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3,(H,17,20)/p+1/t12-/m0/s1