2-(methylsulfonylamino)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 2-(methylsulfonylamino)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2-(methanesulfonamido)benzamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2-(methanesulfonamido)benzamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-2-(methanesulfonamido)benzamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-2-(methanesulfonamido)benzamide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O4S/c1-30(28,29)24-19-10-6-5-9-18(19)21(27)23-17-11-13-25(14-12-17)15-20(26)22-16-7-3-2-4-8-16/h2-10,17,24H,11-15H2,1H3,(H,22,26)(H,23,27)/p+1